# HG changeset patch
# User galaxyp
# Date 1539348966 14400
# Node ID 58a3e6cb25980acdc956bdf4cce5b5b4233c1a75
# Parent  64e3a8cc8ffb9f588515ebdb6e90c885658f1e5e
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 6e846f7195a9e939047ac975c6523e8cf99da6b4

diff -r 64e3a8cc8ffb -r 58a3e6cb2598 macros.xml
--- a/macros.xml	Thu Sep 27 04:31:53 2018 -0400
+++ b/macros.xml	Fri Oct 12 08:56:06 2018 -0400
@@ -2,12 +2,14 @@
     <xml name="stdio">
         <stdio>
             <exit_code range="1:" level="fatal" description="Job Failed" />
-	    <regex match="java.lang.OutOfMemoryError" level="fatal_oom" description="Java memory Exception"/>
+	    <!--	    <regex match="java.lang.OutOfMemoryError" level="fatal_oom" description="Java memory Exception"/>
 	    <regex match="Could not allocate metaspace" level="fatal_oom" description="Java memory Exception"/>
 	    <regex match="Cannot create VM thread" level="fatal_oom" description="Java memory Exception"/>
+	    <regex match="Native memory allocation (malloc) failed" level="fatal_oom" description="Java memory Exception"/>-->
 	    <regex match="java.*Exception" level="fatal" description="Java Exception"/>
             <regex match="Could not create the Java virtual machine" level="fatal" description="JVM Error"/>
-            <regex match="CompomicsError" level="fatal" description="Compomics Error"/>
+	    <regex match="PeptideShaker ran out of memory" level="fatal" description="JVM Error"/>
+	    <regex match="CompomicsError" level="fatal" description="Compomics Error"/>
         </stdio>
     </xml>
     <token name="@GENERAL_PARAMETERS@">
@@ -52,7 +54,8 @@
 
     </token>
     <token name="@SEARCHGUI_MAJOR_VERSION@">3</token>
-    <token name="@SEARCHGUI_VERSION@">3.3.3</token>
+    <token name="@SEARCHGUI_VERSION@">3.3.5</token>
+    <token name="@PEPTIDESHAKER_VERSION@">1.16.31</token>
     <xml name="general_options">
 
         <section name="protein_digest_options" expanded="false" title="Protein Digestion Options">
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 peptide_shaker.xml
--- a/peptide_shaker.xml	Thu Sep 27 04:31:53 2018 -0400
+++ b/peptide_shaker.xml	Fri Oct 12 08:56:06 2018 -0400
@@ -1,4 +1,4 @@
-<tool id="peptide_shaker" name="Peptide Shaker" version="1.16.26">
+<tool id="peptide_shaker" name="Peptide Shaker" version="@PEPTIDESHAKER_VERSION@">
     <description>
         Perform protein identification using various search engines based on results from SearchGUI
     </description>
@@ -6,11 +6,12 @@
         <import>macros.xml</import>
     </macros>
     <requirements>
-        <requirement type="package" version="1.16.26">peptide-shaker</requirement>
+        <requirement type="package" version="@PEPTIDESHAKER_VERSION@">peptide-shaker</requirement>
     </requirements>
     <expand macro="stdio" />
-    <command>
-<![CDATA[
+
+    <command><![CDATA[
+    ## When supporting more advanced Galaxy versions:    command use_shared_home="false"
         #from datetime import datetime
         #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s")
         #set $samp_str = "Sample_%s" % datetime.now().strftime("%Y%m%d%H%M%s")
@@ -18,16 +19,33 @@
         #set $bin_dir = "bin"
 
 
-        mkdir output_reports;
-        cwd=`pwd`;
+        mkdir output_reports &&
+        cwd=`pwd` &&
+        export HOME=\$cwd &&
+
+        echo "" > $temp_stderr &&
 
         ln -s '$searchgui_input' searchgui_input.zip &&
         jar xvf searchgui_input.zip SEARCHGUI_IdentificationParameters.par &&
+
+
+        peptide-shaker eu.isas.peptideshaker.cmd.PathSettingsCLI
+	         --exec_dir="\$cwd/${bin_dir}"
+            -temp_folder \$cwd/PathSettingsCLI
+            -log \$cwd/peptideshaker.log &&
+
+        #if str($exporting_options.output_reports) != "None"
+            #set $output_reports_list = set(str($exporting_options.output_reports).split(','))
+        #else
+            #set $output_reports_list = set()
+	      #end if
+
         ######################
         ## PeptideShakerCLI ##
         ######################
-        (peptide-shaker eu.isas.peptideshaker.cmd.PeptideShakerCLI
+        (peptide-shaker -Djava.awt.headless=true eu.isas.peptideshaker.cmd.PeptideShakerCLI
             --exec_dir="\$cwd/${bin_dir}"
+            -gui 0
             -temp_folder \$cwd/PeptideShakerCLI
             -experiment '$exp_str'
             -sample '$samp_str'
@@ -35,166 +53,123 @@
             -identification_files \$cwd/searchgui_input.zip
             -id_params \$cwd/SEARCHGUI_IdentificationParameters.par
             -out \$cwd/peptideshaker_output.cpsx
+	      #if $exporting_options.zip_conditional.zip_output_boolean == 'zip':
             -zip \$cwd/peptideshaker_output.zip
-            #set $cleaned_list = str($outputs).split(',')
-            #if 'cps' in $cleaned_list:
-                #silent $cleaned_list.remove('cps')
-            #end if
-            #if 'mzidentML' in $cleaned_list:
-                #silent $cleaned_list.remove('mzidentML')
-            #end if
-            #if 'zip' in $cleaned_list:
-                #silent $cleaned_list.remove('zip')
-            #end if
-            #if len($cleaned_list) > 0
-              ## Only numbers are left over. These corresponds to different reports.
-              -reports #echo ','.join($cleaned_list)#
-            #end if
-
+	      #end if
             -threads "\${GALAXY_SLOTS:-12}"
 
-            ##Optional processing parameters:
-            #if $processing_options.processing_options_selector == "yes"
-                -protein_fdr "${processing_options.protein_fdr}"
-                -peptide_fdr "${processing_options.peptide_fdr}"
-                -psm_fdr "${processing_options.psm_fdr}"
-                -ptm_score "${processing_options.ptm_score.ptm_score_selector}"
-                #if $processing_options.ptm_score.ptm_score_selector == 1
-                    -score_neutral_losses "${processing_options.ptm_score.neutral_losses}"
-                    #if str($processing_options.ptm_score.ptm_threshold) != ''
-                        -ptm_threshold "${processing_options.ptm_score.ptm_threshold}"
-                    #end if
+        ##Optional processing parameters:
+        #if $processing_options.processing_options_selector == "yes"
+            -protein_fdr "${processing_options.protein_fdr}"
+            -peptide_fdr "${processing_options.peptide_fdr}"
+            -psm_fdr "${processing_options.psm_fdr}"
+            -ptm_score "${processing_options.ptm_score.ptm_score_selector}"
+            #if $processing_options.ptm_score.ptm_score_selector == 1
+                -score_neutral_losses "${processing_options.ptm_score.neutral_losses}"
+                #if str($processing_options.ptm_score.ptm_threshold) != ''
+                    -ptm_threshold "${processing_options.ptm_score.ptm_threshold}"
                 #end if
-                -ptm_alignment "${processing_options.ptm_alignment}"
-                -ptm_sequence_matching_type "${processing_options.ptm_sequence_matching_type}"
-                -protein_fraction_mw_confidence "${processing_options.protein_fraction_mw_confidence}"
             #end if
+            -ptm_alignment "${processing_options.ptm_alignment}"
+            -ptm_sequence_matching_type "${processing_options.ptm_sequence_matching_type}"
+            -protein_fraction_mw_confidence "${processing_options.protein_fraction_mw_confidence}"
+        #end if
+
+        ##Optional filtering parameters:
+        #if $filtering_options.filtering_options_selector == "yes":
+            -import_peptide_length_min "${filtering_options.min_peptide_length}"
+            -import_peptide_length_max "${filtering_options.max_peptide_length}"
+            -import_precurosor_mz "${filtering_options.max_precursor_error}"
+            -import_precurosor_mz_ppm "${filtering_options.max_precursor_error_type}"
+            ##-max_xtandem_e "${filtering_options.max_xtandem_e}"
+            ##-max_omssa_e "${filtering_options.max_omssa_e}"
+            ##-max_mascot_e "${filtering_options.max_mascot_e}"
+            -exclude_unknown_ptms "${filtering_options.exclude_unknown_ptms}"
+        #end if
 
-           ##Optional filtering parameters:
-            #if $filtering_options.filtering_options_selector == "yes":
-                -import_peptide_length_min "${filtering_options.min_peptide_length}"
-                -import_peptide_length_max "${filtering_options.max_peptide_length}"
-                -import_precurosor_mz "${filtering_options.max_precursor_error}"
-                -import_precurosor_mz_ppm "${filtering_options.max_precursor_error_type}"
-                ##-max_xtandem_e "${filtering_options.max_xtandem_e}"
-                ##-max_omssa_e "${filtering_options.max_omssa_e}"
-                ##-max_mascot_e "${filtering_options.max_mascot_e}"
-                -exclude_unknown_ptms "${filtering_options.exclude_unknown_ptms}"
+        ##################################
+        ## mzidCLI options ##
+        ##################################
+
+        #if $exporting_options.mzidentml_conditional.mzidentml_creation == 1:
+            -output_file \$cwd/output.mzid
+            -include_sequences ${exporting_options.mzidentml_conditional.include_sequences}
+            #if $contact_options.contact_options_selector == "yes":
+                -contact_first_name "$contact_options.contact_first_name"
+                -contact_last_name "$contact_options.contact_last_name"
+                -contact_email "$contact_options.contact_email"
+                -contact_address "$contact_options.contact_address"
+                #if str($contact_options.contact_url).strip() != '':
+                    -contact_url = "$contact_options.contact_url"
+                #end if
+                -organization_name "$contact_options.organization_name"
+                -organization_email "$contact_options.organization_email"
+                -organization_address "$contact_options.organization_address"
+                #if str($contact_options.organization_url).strip() != '':
+                    -organization_url = "$contact_options.organization_url"
+                #end if
+            #else:
+                -contact_first_name "Proteomics"
+                -contact_last_name "Galaxy"
+                -contact_email "galaxyp@umn.edu"
+                -contact_address "galaxyp@umn.edu"
+                -organization_name "University of Minnesota"
+                -organization_email "galaxyp@umn.edu"
+                -organization_address "Minneapolis, MN 55455, Vereinigte Staaten"
             #end if
-
-        2>> $temp_stderr)
-
-        &&
-
-        echo "Running Reports";
+        #end if
 
         ##################################
         ## PeptideShaker Report options ##
         ##################################
-
-        #if 'mzidentML' in str($outputs).split(','):
-            echo "Generating mzIdentML";
-            (peptide-shaker eu.isas.peptideshaker.cmd.MzidCLI
-                --exec_dir="\$cwd/${bin_dir}"
-                -in \$cwd/peptideshaker_output.zip
-                -output_file \$cwd/output.mzid
-                #if $contact_options.contact_options_selector == "yes":
-                    -contact_first_name "$contact_options.contact_first_name"
-                    -contact_last_name "$contact_options.contact_last_name"
-                    -contact_email "$contact_options.contact_email"
-                    -contact_address "$contact_options.contact_address"
-                    #if str($contact_options.contact_url).strip() != '':
-                        -contact_url = "$contact_options.contact_url"
-                    #end if
-                    -organization_name "$contact_options.organization_name"
-                    -organization_email "$contact_options.organization_email"
-                    -organization_address "$contact_options.organization_address"
-                    #if str($contact_options.organization_url).strip() != '':
-                        -organization_url = "$contact_options.organization_url"
-                    #end if
-                #else:
-                    -contact_first_name "Proteomics"
-                    -contact_last_name "Galaxy"
-                    -contact_email "galaxyp@umn.edu"
-                    -contact_address "galaxyp@umn.edu"
-                    -organization_name "University of Minnesota"
-                    -organization_email "galaxyp@umn.edu"
-                    -organization_address "Minneapolis, MN 55455, Vereinigte Staaten"
-                #end if
-            2>> $temp_stderr)
-            &&
+        ## Generate Reports if the user has selected one of the 11 additional reports
+        #if len($output_reports_list) > 0
+                -out_reports \$cwd/output_reports
+                -reports #echo ','.join($output_reports_list)#
         #end if
 
-        ## Generate Reports if the user has selected one of the 8 additional reports
-        ## 'cps', 'mzidentML' and 'zip' are not valid options for PeptideShaker
-        ## and will not be passed to the command line
-        #if set(["0","1","2","3","4","5","6","7"]).intersection( set( str( $outputs ).split(',') ) ):
+        2>> $temp_stderr)
 
-            (peptide-shaker eu.isas.peptideshaker.cmd.ReportCLI
-                --exec_dir="\$cwd/${bin_dir}"
-                -temp_folder \$cwd/ReportCLI
-                -in \$cwd/peptideshaker_output.zip
-                -out_reports \$cwd/output_reports
-                #set $cleaned_list = str($outputs).split(',')
-                #if 'cps' in $cleaned_list:
-                    #silent $cleaned_list.remove('cps')
-                #end if
-                #if 'mzidentML' in $cleaned_list:
-                    #silent $cleaned_list.remove('mzidentML')
-                #end if
-                #if 'zip' in $cleaned_list:
-                    #silent $cleaned_list.remove('zip')
-                #end if
-                ## Only numbers are left over. These corresponds to different reports.
-                -reports #echo ','.join($cleaned_list)#
-
-            2>> $temp_stderr)
-            &&
+	      #if len(output_reports_list)>0:
+            #if '0' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Certificate_of_Analysis.txt' -exec bash -c 'mv "$0" "certificate.txt"' {} \;
+            #end if
+            #if '1' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Hierarchical_Report.txt' -exec bash -c 'mv "$0" "hierarchical.txt"' {} \;
+            #end if
+            #if '2' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_PSM_Phosphorylation_Report.txt' -exec bash -c 'mv "$0" "psm_phospho.txt"' {} \;
+            #end if`
+            #if '3' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_PSM_Report.txt' -exec bash -c 'mv "$0" "psm.txt"' {} \;
+            #end if
+            #if '4' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_PSM_Report_with_non-validated_matches.txt' -exec bash -c 'mv "$0" "psm_nonvalidated.txt"' {} \;
+            #end if
+            #if '5' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Peptide_Phosphorylation_Report.txt' -exec bash -c 'mv "$0" "peptides_phospho.txt"' {} \;
+            #end if
+            #if '6' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Peptide_Report.txt' -exec bash -c 'mv "$0" "peptides.txt"' {} \;
+            #end if
+            #if '7' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Peptide_Report_with_non-validated_matches.txt' -exec bash -c 'mv "$0" "peptides_nonvalidated.txt"' {} \;
+            #end if
+            #if '8' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Protein_Phosphorylation_Report.txt' -exec bash -c 'mv "$0" "proteins_phospho.txt"' {} \;
+            #end if
+            #if '9' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Protein_Report.txt' -exec bash -c 'mv "$0" "proteins.txt"' {} \;
+            #end if
+            #if '10' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Default_Protein_Report_with_non-validated_matches.txt' -exec bash -c 'mv "$0" "proteins_nonvalidated.txt"' {} \;
+            #end if
+            #if '11' in $output_reports_list:
+                && find \$cwd/output_reports -name '*Extended_PSM_Report.txt' -exec bash -c 'mv "$0" "psmx.txt"' {} \;
+            #end if
         #end if
 
-        ## # ls -l \$cwd/output_reports/* ;
-
-        #if '0' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Certificate_of_Analysis*' -exec bash -c 'mv "$0" "certificate.txt"' {} \;
-            ;
-        #end if
-        #if '1' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Hierarchical*' -exec bash -c 'mv "$0" "hierarchical.txt"' {} \;
-            ;
-        #end if
-        #if '2' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*PSM_Phosphorylation_Report*' -exec bash -c 'mv "$0" "psm_phospho.txt"' {} \;
-            ;
-        #end if
-        #if '8' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Extended_PSM_Report*' -exec bash -c 'mv "$0" "psmx.txt"' {} \;
-            ;
-        #end if
-        #if '3' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*PSM_Report*' -exec bash -c 'mv "$0" "psm.txt"' {} \;
-            ;
-        #end if
-        #if '4' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Peptide_Phosphorylation_Report*' -exec bash -c 'mv "$0" "peptides_phospho.txt"' {} \;
-            ;
-        #end if
-        #if '5' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Peptide_Report*' -exec bash -c 'mv "$0" "peptides.txt"' {} \;
-            ;
-        #end if
-        #if '6' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Protein_Phosphorylation_Report*' -exec bash -c 'mv "$0" "proteins_phospho.txt"' {} \;
-            ;
-        #end if
-        #if '7' in str($outputs).split(','):
-            find \$cwd/output_reports -name '*Protein_Report*' -exec bash -c 'mv "$0" "proteins.txt"' {} \;
-            ;
-        #end if
-
-        exit_code_for_galaxy=\$?;
-        cat $temp_stderr 2>&1;
-        (exit \$exit_code_for_galaxy)
-
+        && cat $temp_stderr 2>&1;
 ]]>
     </command>
     <inputs>
@@ -297,60 +272,92 @@
             </when>
         </conditional>
 
-        <param name="include_sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Include the protein sequences in mzIdentML" />
-        <param name="outputs" type="select" display="checkboxes" multiple="True" label="Output options">
-            <option value="zip">Zip File for import to Desktop App</option>
-            <option value="mzidentML" selected="True">mzidentML File</option>
-            <option value="3">PSM Report</option>
-            <option value="8">Extended PSM Report</option>
-            <option value="2">PSM Phosphorylation Report</option>
-            <option value="5">Peptide Report</option>
-            <option value="4">Peptide Phosphorylation Report</option>
-            <option value="7">Protein Report</option>
-            <option value="6">Protein Phosphorylation Report</option>
-            <option value="0">Certificate of Analysis</option>
-            <option value="1">Hierarchical Report</option>
-            <option value="cps">CPS file</option>
-            <validator type="no_options" message="Please select at least one output file" />
-        </param>
+        <section name="exporting_options" expanded="true" title="Exporting options">
+
+            <conditional name="mzidentml_conditional">
+                <param name="mzidentml_creation" type="boolean" truevalue="1" falsevalue="0" checked="true" label="Creates a mzIdentML file" />
+                <when value="1">
+              	     <param name="include_sequences" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Include the protein sequences in the mzIdentML file" />
+                </when>
+                <when value="0" />
+            </conditional>
+
+            <conditional name="zip_conditional">
+                <param name="zip_output_boolean" type="boolean" truevalue="zip" falsevalue="separate" checked="false" label="Compress results into a single zip file" />
+                <when value="separate">
+                    <param name="export_cps" type="boolean" truevalue="1" falsevalue="0" checked="false" label="Exports the CPS file" />
+                </when>
+                <when value="zip" />
+            </conditional>
+
+            <param name="output_reports" type="select" display="checkboxes" multiple="True" optional="true" label="Reports to be generated">
+                <option value="3">PSM Report</option>
+                <option value="4">PSM Report with non-validated matches</option>
+                <option value="2">PSM Phosphorylation Report</option>
+                <option value="11">Extended PSM Report</option>
+                <option value="6">Peptide Report</option>
+                <option value="7">Peptide Report with non-validated matches</option>
+                <option value="5">Peptide Phosphorylation Report</option>
+                <option value="9">Protein Report</option>
+                <option value="10">Protein Report with non-validated matches</option>
+                <option value="8">Protein Phosphorylation Report</option>
+                <option value="0">Certificate of Analysis</option>
+                <option value="1">Hierarchical Report</option>
+            </param>
+
+        </section>
 
     </inputs>
     <outputs>
         <data format="mzid" name="mzidentML" from_work_dir="output.mzid" label="${tool.name} on ${on_string}: mzidentML file">
-            <filter>'mzidentML' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and mzidentml_conditional['mzidentml_creation'] is True</filter>
         </data>
         <data format="peptideshaker_archive" name="output_cps" from_work_dir="peptideshaker_output.cpsx" label="${tool.name} on ${on_string}: CPS file">
-            <filter>'cps' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and exporting_options['zip_conditional']['export_cps'] is True</filter>
         </data>
         <data format="zip" name="output_zip" from_work_dir="peptideshaker_output.zip" label="${tool.name} on ${on_string}: Archive">
-            <filter>'zip' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is True</filter>
         </data>
-        <data format="txt" name="output_certificate" from_work_dir="certificate.txt" label="${tool.name} on ${on_string}: Parameters">
-            <filter>'0' in outputs</filter>
+	<!--
+        <data format="tabular" name="reports">
+            <discover_datasets pattern="(?P&lt;designation&gt;.+)\.txt" format="tabular" directory="output_reports" visible="true" assign_primary_output="true" />
+        </data>
+        -->
+	      <data format="txt" name="output_certificate" from_work_dir="certificate.txt" label="${tool.name} on ${on_string}: Parameters">
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '0' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_hierarchical" from_work_dir="hierarchical.txt" label="${tool.name} on ${on_string}: Hierarchical Report">
-            <filter>'1' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '1' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_psm_phosphorylation" from_work_dir="psm_phospho.txt" label="${tool.name} on ${on_string}: PSM Phosphorylation Report">
-            <filter>'2' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '2' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_psm" from_work_dir="psm.txt" label="${tool.name} on ${on_string}: PSM Report">
-            <filter>'3' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '3' in exporting_options['output_reports']</filter>
+        </data>
+        <data format="tabular" name="output_psm_nonvalidated" from_work_dir="psm_nonvalidated.txt" label="${tool.name} on ${on_string}: PSM Report with non-validated matches">
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '4' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_extended_psm" from_work_dir="psmx.txt" label="${tool.name} on ${on_string}: Extended PSM Report">
-            <filter>'8' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '11' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_peptides_phosphorylation" from_work_dir="peptides_phospho.txt" label="${tool.name} on ${on_string}: Peptide Phosphorylation Report">
-            <filter>'4' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '5' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_peptides" from_work_dir="peptides.txt" label="${tool.name} on ${on_string}: Peptide Report">
-            <filter>'5' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '6' in exporting_options['output_reports']</filter>
+        </data>
+        <data format="tabular" name="output_peptides_nonvalidated" from_work_dir="peptides_nonvalidated.txt" label="${tool.name} on ${on_string}: Peptide Report with non-validated matches">
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '7' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_proteins_phosphorylation" from_work_dir="proteins_phospho.txt" label="${tool.name} on ${on_string}: Protein Phosphorylation Report">
-            <filter>'6' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '8' in exporting_options['output_reports']</filter>
         </data>
         <data format="tabular" name="output_proteins" from_work_dir="proteins.txt" label="${tool.name} on ${on_string}: Protein Report">
-            <filter>'7' in outputs</filter>
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '9' in exporting_options['output_reports']</filter>
+        </data>
+        <data format="tabular" name="output_proteins_nonvalidated" from_work_dir="proteins_nonvalidated.txt" label="${tool.name} on ${on_string}: Protein Repor with non-validated matches">
+            <filter>exporting_options['zip_conditional']['zip_output_boolean'] is False and str(exporting_options['output_reports']) != 'None' and '10' in exporting_options['output_reports']</filter>
         </data>
     </outputs>
     <tests>
@@ -358,88 +365,50 @@
             <param name="searchgui_input" value="tiny_searchgui_modifications_result1.zip" ftype="searchgui_archive"/>
             <param name="processing_options_selector" value="no"/>
             <param name="filtering_options_selector" value="no"/>
-            <param name="outputs" value="zip,3"/>
+            <param name="mzidentml_creation" value="0"/>
+            <param name="zip_output_boolean" value="zip"/>
+            <param name="export_cps" value="1"/>
             <output name="output_zip" file="peptide_shaker_modifications_result1.zip" ftype="zip" compare="sim_size" delta="3000" />
-            <output name="output_psm">
-                <assert_contents>
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
         </test>
         <test>
             <param name="searchgui_input" value="tiny_searchgui_modifications_result1.zip" ftype="searchgui_archive"/>
             <param name="processing_options_selector" value="no"/>
             <param name="filtering_options_selector" value="yes"/>
             <param name="min_peptide_length" value="1"/>
-            <param name="outputs" value="0,1,2,3,4,5,6,7"/>
-            <output name="output_certificate">
-                <assert_contents>
-                    <has_text text="Tolerance: 100" />
-                    <has_text text="Carbamidomethylation of C" />
-                </assert_contents>
-            </output>
-            <output name="output_hierarchical">
-                <assert_contents>
-                    <has_text_matching expression="1.1\tcds.comp" />
-                </assert_contents>
-            </output>
-            <output name="output_psm">
-                <assert_contents>
-                    <not_has_text text="Phosphosite" />
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
-            <output name="output_psm_phosphorylation">
-                <assert_contents>
-                    <has_text text="Phosphosite" />
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
-            <output name="output_peptides">
-                <assert_contents>
-                    <has_text text="Modification" />
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
-            <output name="output_peptides_phosphorylation">
-                <assert_contents>
-                    <has_text text="Phosphosite" />
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
-            <output name="output_proteins">
-                <assert_contents>
-                    <has_text text="Modification" />
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
-            <output name="output_proteins_phosphorylation">
-                <assert_contents>
-                    <has_text text="Phosphosite" />
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
+            <param name="mzidentml_creation" value="0"/>
+            <param name="zip_output_boolean" value="separate"/>
+            <param name="output_reports" value="0,1,2,3,4,5,6,7,8,9,10,11"/>
+            <output name="output_certificate" file="peptide_shaker_modifications_result1.output_certificate" ftype="txt" lines_diff="6"/>
+            <output name="output_hierarchical" file="peptide_shaker_modifications_result1.output_hierarchical" ftype="tabular"/>
+            <output name="output_extended_psm" file="peptide_shaker_modifications_result1.output_extended_psm" ftype="tabular"/>
+            <output name="output_psm" file="peptide_shaker_modifications_result1.output_psm" ftype="tabular"/>
+            <output name="output_psm_phosphorylation" file="peptide_shaker_modifications_result1.output_psm_phosphorylation" ftype="tabular"/>
+            <output name="output_psm_nonvalidated" file="peptide_shaker_modifications_result1.output_psm_nonvalidated" ftype="tabular"/>
+            <output name="output_peptides" file="peptide_shaker_modifications_result1.output_peptides" ftype="tabular"/>
+            <output name="output_peptides_phosphorylation" file="peptide_shaker_modifications_result1.output_peptides_phosphorylation" ftype="tabular"/>
+            <output name="output_peptides_nonvalidated" file="peptide_shaker_modifications_result1.output_peptides_nonvalidated" ftype="tabular"/>
+            <output name="output_proteins" file="peptide_shaker_modifications_result1.output_proteins" ftype="tabular"/>
+            <output name="output_proteins_phosphorylation" file="peptide_shaker_modifications_result1.output_proteins_phosphorylation" ftype="tabular"/>
+            <output name="output_proteins_nonvalidated" file="peptide_shaker_modifications_result1.output_proteins_nonvalidated" ftype="tabular"/>
         </test>
         <test>
             <param name="searchgui_input" value="tiny_searchgui_modifications_result1.zip" ftype="searchgui_archive"/>
             <param name="processing_options_selector" value="no"/>
             <param name="filtering_options_selector" value="no"/>
-            <param name="outputs" value="3,cps"/>
+            <param name="mzidentml_creation" value="0"/>
+            <param name="zip_output_boolean" value="separate"/>
+            <param name="export_cps" value="1"/>
+            <param name="output_reports" value="3"/>
             <output name="output_cps" file="peptide_shaker_modifications_result1.cpsx" ftype="peptideshaker_archive" compare="sim_size" delta="3000"/>
-            <output name="output_psm">
-                <assert_contents>
-                    <has_text text="cds.comp41779_c0_seq1" />
-                </assert_contents>
-            </output>
+	          <output name="output_psm" file="peptide_shaker_modifications_result1.output_psm" ftype="tabular"/>
         </test>
     </tests>
     <help>
 **What it does**
 
-Runs multiple search engines (X! Tandem, OMSSA and MS-GF+) on any number of MGF peak lists using the SearchGUI application and combines the results.
+PeptideShaker is a search engine for interpretation of proteomics identification results from multiple search engines, currently supporting X!Tandem, MS-GF+, MS Amanda, OMSSA, MyriMatch, Comet, Tide, Mascot, Andromeda and mzIdentML.
 
 http://compomics.github.io/projects/peptide-shaker.html
-http://compomics.github.io/projects/searchgui.html
 
 ----
 
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 searchgui.xml
--- a/searchgui.xml	Thu Sep 27 04:31:53 2018 -0400
+++ b/searchgui.xml	Fri Oct 12 08:56:06 2018 -0400
@@ -1,4 +1,4 @@
-<tool id="search_gui" name="Search GUI" version="@SEARCHGUI_VERSION@.1">
+<tool id="search_gui" name="Search GUI" version="@SEARCHGUI_VERSION@">
     <description>
         Perform protein identification using various search engines and prepare results for input to Peptide Shaker
     </description>
@@ -23,6 +23,8 @@
         cwd=`pwd`;
         export HOME=\$cwd;
 
+        echo "" > $temp_stderr && 
+
         ## echo the search engines to run (single quotes important because X!Tandem)
         echo '$search_engines_options.engines';
         echo 'DB: ${input_database.element_identifier} sequences: ${input_database.metadata.sequences}';
@@ -43,7 +45,7 @@
         ####       Set paths                   ####
         ###########################################
         echo 'Setting paths' &&
-        searchgui eu.isas.searchgui.cmd.PathSettingsCLI
+        searchgui -Djava.awt.headless=true eu.isas.searchgui.cmd.PathSettingsCLI
             --exec_dir="\$cwd/${bin_dir}" 
             -temp_folder \$cwd 
             -log \$cwd/searchgui.log  2>> $temp_stderr &&
@@ -53,7 +55,7 @@
         ###########################################
         #if $protein_database_options.create_decoy:
             echo 'Creating decoy database.' &&
-            searchgui eu.isas.searchgui.cmd.FastaCLI 
+            searchgui -Djava.awt.headless=true eu.isas.searchgui.cmd.FastaCLI 
                 --exec_dir="\$cwd/${bin_dir}" 
                 -in input_database.fasta
                 -decoy  2>> $temp_stderr &&
@@ -66,7 +68,7 @@
         ## generate IdentificationParameters for SearchGUI ##
         #####################################################
         echo 'setting identification parameters' &&
-        (searchgui eu.isas.searchgui.cmd.IdentificationParametersCLI
+        (searchgui -Djava.awt.headless=true eu.isas.searchgui.cmd.IdentificationParametersCLI
             --exec_dir="\$cwd/${bin_dir}"
             -out SEARCHGUI_IdentificationParameters.par
 
@@ -435,9 +437,7 @@
 
         (zip -u searchgui_out.zip searchgui.properties 2>> $temp_stderr);
 
-        exit_code_for_galaxy=\$?;
         cat $temp_stderr 2>&1;
-        (exit \$exit_code_for_galaxy)
 ]]>
     </command>
     <inputs>
@@ -1108,8 +1108,8 @@
             <param name="min_charge" value="1"/>
             <param name="max_charge" value="3"/>
             <param name="engines" value="X!Tandem,MSGF,MyriMatch,OMSSA,Comet"/>
-            <param name="xtandem.xtandem_advanced" value="yes"/>
-            <param name="xtandem_advanced.xtandem_refine_selector" value="yes"/>
+            <param name="xtandem|xtandem_advanced" value="yes"/>
+            <param name="xtandem|xtandem_advanced|xtandem_refine_selector" value="yes"/>
             <output name="searchgui_results" file="tiny_searchgui_result1.zip" ftype="searchgui_archive" compare="sim_size" delta="30000" />
         </test>
         <!-- Test that search works with MSAmanda -->
@@ -1124,7 +1124,6 @@
         </test>
 
         <!-- Test that specifying non-default search engines works using modifications -->
-        <!--
         <test>
             <param name="peak_lists" value="searchgui_tinyspectra1.mgf"/>
             <param name="input_database" value="searchgui_tinydb1.fasta" ftype="fasta"/>
@@ -1134,13 +1133,11 @@
             <param name="min_charge" value="1"/>
             <param name="max_charge" value="3"/>
             <param name="engines" value="X!Tandem,MSGF,MyriMatch,OMSSA,Comet"/>
-            <param name="xtandem.xtandem_advanced" value="yes"/>
-            <param name="xtandem_advanced.xtandem_refine_selector" value="yes"/>
-            <output name="output" file="tiny_searchgui_modifications_result1.zip" ftype="searchgui_archive" compare="sim_size" delta="30000" />
+            <param name="xtandem|xtandem_advanced" value="yes"/>
+            <param name="xtandem|xtandem_advanced|xtandem_refine_selector" value="yes"/>
+            <output name="searchgui_results" file="tiny_searchgui_modifications_result1.zip" ftype="searchgui_archive" compare="sim_size" delta="30000" />
         </test>
-        -->
         <!-- Test that search works with MSAmanda - with modifications -->
-        <!--
         <test>
             <param name="peak_lists" value="searchgui_tinyspectra1.mgf"/>
             <param name="input_database" value="searchgui_tinydb1.fasta" ftype="fasta"/>
@@ -1150,9 +1147,8 @@
             <param name="min_charge" value="1"/>
             <param name="max_charge" value="3"/>
             <param name="engines" value="MS_Amanda"/>
-            <output name="output" file="tiny_searchgui_modifications_result_amandaonly.zip" ftype="searchgui_archive" compare="sim_size" delta="5000" />
+            <output name="searchgui_results" file="tiny_searchgui_modifications_result_amandaonly.zip" ftype="searchgui_archive" compare="sim_size" delta="5000" />
         </test>
-        -->
     </tests>
     <help>
 **What it does**
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_certificate_result2.tabular
--- a/test-data/peptide_shaker_certificate_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,68 +0,0 @@
-Project Details1: PeptideShaker Version: 0.37.4-beta
-2: Date: Sat Feb 14 20:04:49 CET 2015
-3: Experiment: Galaxy_Experiment_2015021420041423940686
-4: Sample: Sample_2015021420041423940686
-5: Replicate Number: 1
-6: Identification Algorithms: X!Tandem and MS-GF+
-Database Search Parameters
-
-1: Precursor Accuracy Unit: ppm
-2: Precursor Ion m/z Tolerance: 100.0
-3: Fragment Ion m/z Tolerance: 0.5
-4: Enzyme: Trypsin
-5: Number of Missed Cleavages: Not implemented
-6: Database: input_database.fasta
-7: Forward Ion: b
-8: Rewind Ion: y
-9: Fixed Modifications: carbamidomethyl c
-10: Variable Modifications: oxidation of m, acetylation of protein n-term, pyro-cmc, pyro-glu from n-term e, pyro-glu from n-term q
-11: Refinement Variable Modifications: 
-12: Refinement Fixed Modifications: 
-Input Filters
-
-1: Minimal Peptide Length: 1
-2: Maximal Peptide Length: 30
-3: Precursor m/z Tolerance: 10.0
-4: Precursor m/z Tolerance Unit: Yes
-5: Unrecognized Modifications Discarded: No
-Validation Summary
-
-1: #Validated Proteins: 0.0
-2: Protein Total: 0.0
-3Protein FDR Limit: 1.0 %
-4: Protein FNR Limit: 0.0 %
-5: Protein Confidence Limit: -1.0 %
-6: Protein PEP Limit: 101.0 %
-7: Protein Confidence Accuracy: 0.0 %
-8: #Validated Peptides: 0.0
-9: Peptide Total: 0.0
-10: Peptide FDR Limit: 1.0 %
-11: Peptide FNR Limit: 0.0 %
-12: Peptide Confidence Limit: -1.0 %
-13: Peptide PEP Limit: 101.0 %
-14: Peptide Confidence Accuracy: 0.0 %
-15: #Validated PSM: 0.0
-16: PSM Total: 0.0
-17: PSM FDR Limit: 1.0 %
-18: PSM FNR Limit: 0.0 %
-19: PSM Confidence Limit: -1.0 %
-20: PSM PEP Limit: 101.0 %
-21: PSM Confidence Accuracy: 0.0 %
-Postranslational Modification Scoring Settings
-
-1: A-score: No
-2: Accounting for Neutral Losses: No
-3: False Location Rate: 1.0
-Spectrum Counting Parameters
-
-1: Method: NSAF
-2: Validated Matches Only: Yes
-Annotation Settings
-
-1: Intensity Limit: 0.75
-2: Automatic Annotation: Yes
-3: Selected Ions: b, y
-4: Neutral Losses: NH3, H2O
-5: Neutral Losses Sequence Dependence: Yes
-6: Selected Charges: 1, 2
-7: Fragment Ion m/z Tolerance: 0.5
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_certificate_result2.txt
--- a/test-data/peptide_shaker_certificate_result2.txt	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,68 +0,0 @@
-Project Details1: PeptideShaker Version: 1.13.6
-2: Date: Fri Jan 13 11:06:50 CST 2017
-3: Experiment: Galaxy_Experiment_2017011311051484327131
-4: Sample: Sample_2017011311051484327131
-5: Replicate Number: 1
-6: Identification Algorithms: OMSSA, X!Tandem, MS-GF+, Comet and MyriMatch
-Database Search Parameters
-
-1: Precursor Tolerance Unit: ppm
-2: Precursor Ion m/z Tolerance: 100.0
-3: Fragment Ion Tolerance Unit: Da
-4: Fragment Ion m/z Tolerance: 0.5
-5: Enzyme: Trypsin
-6: Maximum Missed Cleavages: 2
-7: Database: input_database.fasta
-8: Forward Ion: b
-9: Rewind Ion: y
-10: Fixed Modifications: Carbamidomethylation of C
-11: Variable Modifications: Oxidation of M, Acetylation of protein N-term, Pyrolidone from E, Pyrolidone from Q, Pyrolidone from carbamidomethylated C
-12: Refinement Variable Modifications: 
-13: Refinement Fixed Modifications: 
-Input Filters
-
-1: Minimal Peptide Length: 1
-2: Maximal Peptide Length: 30
-3: Precursor m/z Tolerance: 10.0
-4: Precursor m/z Tolerance Unit: Yes
-5: Unrecognized Modifications Discarded: Yes
-Validation Summary
-
-1: Proteins: #Validated: 2.0
-2: Proteins: Total Possible TP: 2.0
-3: Proteins: FDR Limit [%]: 0.0
-4: Proteins: FNR Limit [%]: 0.0
-5: Proteins: Confidence Limit [%]: 100.0
-6: Proteins: PEP Limit [%]: 0.0
-7: Proteins: Confidence Accuracy [%]: 0.0
-8: Peptides: #Validated: 16.0
-9: Peptides: Total Possible TP: 16.0
-10: Peptides: FDR Limit [%]: 0.0
-11: Peptides: FNR Limit [%]: 0.0
-12: Peptides: Confidence Limit [%]: 100.0
-13: Peptides: PEP Limit [%]: 0.0
-14: Peptides: Confidence Accuracy [%]: 0.0
-15: PSMs: #Validated PSM: 42.0
-16: PSMs: Total Possible TP: 42.0
-17: PSMs: FDR Limit [%]: 0.0
-18: PSMs: FNR Limit [%]: 0.0
-19: PSMs: Confidence Limit [%]: 100.0
-20: PSMs: PEP Limit [%]: 0.0
-21: PSMs: Confidence Accuracy [%]: 0.0
-PTM Scoring Settings
-
-1: Probabilistic Score: PhosphoRS
-2: Accounting for Neutral Losses: No
-3: Threshold: 95.0
-Spectrum Counting Parameters
-
-1: Method: NSAF
-2: Validated Matches Only: No
-Annotation Settings
-
-1: Intensity Limit: 0.75
-2: Automatic Annotation: Yes
-3: Selected Ions: y, b
-4: Neutral Losses: H2O, NH3, CH4OS
-5: Neutral Losses Sequence Dependence: Yes
-6: Fragment Ion m/z Tolerance: 0.5
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_hierarchical_result2.tabular
--- a/test-data/peptide_shaker_hierarchical_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,79 +0,0 @@
-	Main Accession	Description	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting NSAF	Confidently Localized Modification Sites	# Confidently Localized Modification Sites	Ambiguously Localized Modification Sites	#Ambiguously Localized Modification Sites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated PSMs	#PSMs	Confidence [%]	Decoy	Validation
-1	cds.comp41779_c0_seq1	m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67	69.88215380565927	92.52	37.58	0.017651472642866785					Related Proteins	cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	15	15	15	40	40	100.0	0	Doubtful
-	Protein(s)	Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Decoy	Validation
-1.1	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS				4	4	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.1.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939	0				100.0	Doubtful
-1.1.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939	0				100.0	Doubtful
-1.1.3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364	0				100.0	Doubtful
-1.1.4	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364	0				100.0	Doubtful
-1.2	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS				4	4	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.2.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501	0				100.0	Doubtful
-1.2.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069	0				100.0	Doubtful
-1.2.3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501	0				100.0	Doubtful
-1.2.4	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069	0				100.0	Doubtful
-1.3	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.3.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883	0				100.0	Doubtful
-1.3.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883	0				100.0	Doubtful
-1.4	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.4.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787	0				100.0	Doubtful
-1.4.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787	0				100.0	Doubtful
-1.5	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.5.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245	0				100.0	Doubtful
-1.5.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245	0				100.0	Doubtful
-1.6	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.6.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653	0				100.0	Doubtful
-1.6.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653	0				100.0	Doubtful
-1.7	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV				4	4	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.7.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312	0				100.0	Doubtful
-1.7.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754	0				100.0	Doubtful
-1.7.3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754	0				100.0	Doubtful
-1.7.4	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312	0				100.0	Doubtful
-1.8	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.8.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005	0				100.0	Doubtful
-1.8.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005	0				100.0	Doubtful
-1.9	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.9.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349	0				100.0	Doubtful
-1.9.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349	0				100.0	Doubtful
-1.10	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE				4	4	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.10.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375	0				100.0	Doubtful
-1.10.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375	0				100.0	Doubtful
-1.10.3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414	0				100.0	Doubtful
-1.10.4	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414	0				100.0	Doubtful
-1.11	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.11.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406	0				100.0	Doubtful
-1.11.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406	0				100.0	Doubtful
-1.12	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.12.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223	0				100.0	Doubtful
-1.12.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223	0				100.0	Doubtful
-1.13	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.13.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295	0				100.0	Doubtful
-1.13.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295	0				100.0	Doubtful
-1.14	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.14.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305	0				100.0	Doubtful
-1.14.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305	0				100.0	Doubtful
-1.15	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID				4	4	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1.15.1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237	0				100.0	Doubtful
-1.15.2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827	0				100.0	Doubtful
-1.15.3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237	0				100.0	Doubtful
-1.15.4	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827	0				100.0	Doubtful
-2	cds.comp52727_c0_seq1	m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91	69.96963713242043	100.0	3.25	0.0032520325203252032					Related Proteins	cds.comp52727_c0_seq2	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	1	1	1	2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Decoy	Validation
-2.1	cds.comp52727_c0_seq1; cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ				2	2	100.0	0	Doubtful
-	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-2.1.1	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747	0				100.0	Doubtful
-2.1.2	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747	0				100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.cpsx
Binary file test-data/peptide_shaker_modifications_result1.cpsx has changed
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_certificate
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_certificate	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,79 @@
+
+Project Details
+
+1: PeptideShaker Version: 1.16.31
+2: Date: Thu Oct 11 10:41:54 CEST 2018
+3: Experiment: Galaxy_Experiment_2018101110411539247311
+4: Sample: Sample_2018101110411539247311
+5: Replicate Number: 1
+6: Identification Algorithms: OMSSA, X!Tandem, MS-GF+ and Comet
+
+Database Search Parameters
+
+1: Precursor Tolerance Unit: ppm
+2: Precursor Ion m/z Tolerance: 100.0
+3: Fragment Ion Tolerance Unit: Da
+4: Fragment Ion m/z Tolerance: 0.5
+5: Cleavage: Enzyme
+6: Enzyme: Trypsin
+7: Missed Cleavages: 2
+8: Specificity: Specific
+9: Database: input_database.fasta
+10: Forward Ion: b
+11: Rewind Ion: y
+12: Fixed Modifications: Carbamidomethylation of C
+13: Variable Modifications: Oxidation of M
+14: Refinement Variable Modifications: Acetylation of protein N-term, Pyrolidone from E, Pyrolidone from Q, Pyrolidone from carbamidomethylated C
+15: Refinement Fixed Modifications: 
+
+Input Filters
+
+1: Minimal Peptide Length: 1
+2: Maximal Peptide Length: 30
+3: Precursor m/z Tolerance: 10.0
+4: Precursor m/z Tolerance Unit: Yes
+5: Unrecognized Modifications Discarded: Yes
+
+Validation Summary
+
+1: Proteins: #Validated: 2.0
+2: Proteins: Total Possible TP: 2.0
+3: Proteins: FDR Limit [%]: 0.0
+4: Proteins: FNR Limit [%]: 0.0
+5: Proteins: Confidence Limit [%]: 100.0
+6: Proteins: PEP Limit [%]: 0.0
+7: Proteins: Confidence Accuracy [%]: 0.0
+8: Peptides: #Validated: 16.0
+9: Peptides: Total Possible TP: 16.0
+10: Peptides: FDR Limit [%]: 0.0
+11: Peptides: FNR Limit [%]: 0.0
+12: Peptides: Confidence Limit [%]: 100.0
+13: Peptides: PEP Limit [%]: 0.0
+14: Peptides: Confidence Accuracy [%]: 0.0
+15: PSMs: #Validated PSM: 42.0
+16: PSMs: Total Possible TP: 42.0
+17: PSMs: FDR Limit [%]: 0.0
+18: PSMs: FNR Limit [%]: 0.0
+19: PSMs: Confidence Limit [%]: 100.0
+20: PSMs: PEP Limit [%]: 0.0
+21: PSMs: Confidence Accuracy [%]: 0.0
+
+PTM Scoring Settings
+
+1: Probabilistic Score: PhosphoRS
+2: Accounting for Neutral Losses: No
+3: Threshold: 95.0
+
+Spectrum Counting Parameters
+
+1: Method: NSAF
+2: Validated Matches Only: No
+
+Annotation Settings
+
+1: Intensity Limit: 0.75
+2: Automatic Annotation: Yes
+3: Selected Ions: b, y
+4: Neutral Losses: H2O, NH3, CH4OS
+5: Neutral Losses Sequence Dependence: Yes
+6: Fragment Ion m/z Tolerance: 0.5
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_extended_psm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_extended_psm	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,43 @@
+	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318	0				100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501	0				100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894	0				100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897	0				100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943	0				100.0	Doubtful
+6	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665	0				100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467	0				100.0	Doubtful
+8	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665	0				100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312	0				100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305	0				100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309	0				100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257	0				100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005	0				100.0	Doubtful
+14	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349	0				100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305	0				100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414	0				100.0	Doubtful
+17	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501	0				100.0	Doubtful
+18	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312	0				100.0	Doubtful
+19	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406	0				100.0	Doubtful
+20	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938	0				100.0	Doubtful
+21	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309	0				100.0	Doubtful
+22	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069	0				100.0	Doubtful
+23	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414	0				100.0	Doubtful
+24	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069	0				100.0	Doubtful
+25	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318	0				100.0	Doubtful
+26	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827	0				100.0	Doubtful
+27	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406	0				100.0	Doubtful
+28	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005	0				100.0	Doubtful
+29	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201	0				100.0	Doubtful
+30	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257	0				100.0	Doubtful
+31	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938	0				100.0	Doubtful
+32	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827	0				100.0	Doubtful
+33	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349	0				100.0	Doubtful
+34	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201	0				100.0	Doubtful
+35	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467	0				100.0	Doubtful
+36	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943	0				100.0	Doubtful
+37	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223	0				100.0	Doubtful
+38	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897	0				100.0	Doubtful
+39	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894	0				100.0	Doubtful
+40	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223	0				100.0	Doubtful
+41	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509	0				100.0	Doubtful
+42	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509	0				100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_hierarchical
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_hierarchical	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,79 @@
+	Main Accession	Description	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting NSAF	Confidently Localized Modification Sites	# Confidently Localized Modification Sites	Ambiguously Localized Modification Sites	#Ambiguously Localized Modification Sites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated PSMs	#PSMs	Confidence [%]	Decoy	Validation
+1	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91		69.96963713242043	100.0	3.25	0.0032520325203252032					Related Proteins	cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	1	1	1	2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Decoy	Validation
+1.1	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+1.1.1	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665	0				100.0	Doubtful
+1.1.2	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665	0				100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67		69.88215380565927	92.52	37.58	0.017651472642866785					Related Proteins	cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	15	15	15	40	40	100.0	0	Doubtful
+	Protein(s)	Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Decoy	Validation
+2.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS				4	4	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.1.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318	0				100.0	Doubtful
+2.1.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318	0				100.0	Doubtful
+2.1.3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938	0				100.0	Doubtful
+2.1.4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938	0				100.0	Doubtful
+2.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS				4	4	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.2.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501	0				100.0	Doubtful
+2.2.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069	0				100.0	Doubtful
+2.2.3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501	0				100.0	Doubtful
+2.2.4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069	0				100.0	Doubtful
+2.3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.3.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894	0				100.0	Doubtful
+2.3.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894	0				100.0	Doubtful
+2.4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.4.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897	0				100.0	Doubtful
+2.4.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897	0				100.0	Doubtful
+2.5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.5.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943	0				100.0	Doubtful
+2.5.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943	0				100.0	Doubtful
+2.6	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.6.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467	0				100.0	Doubtful
+2.6.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467	0				100.0	Doubtful
+2.7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV				4	4	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.7.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312	0				100.0	Doubtful
+2.7.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305	0				100.0	Doubtful
+2.7.3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305	0				100.0	Doubtful
+2.7.4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312	0				100.0	Doubtful
+2.8	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.8.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005	0				100.0	Doubtful
+2.8.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005	0				100.0	Doubtful
+2.9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.9.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349	0				100.0	Doubtful
+2.9.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349	0				100.0	Doubtful
+2.10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE				4	4	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.10.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509	0				100.0	Doubtful
+2.10.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509	0				100.0	Doubtful
+2.10.3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414	0				100.0	Doubtful
+2.10.4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414	0				100.0	Doubtful
+2.11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.11.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406	0				100.0	Doubtful
+2.11.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406	0				100.0	Doubtful
+2.12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.12.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223	0				100.0	Doubtful
+2.12.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223	0				100.0	Doubtful
+2.13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.13.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309	0				100.0	Doubtful
+2.13.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309	0				100.0	Doubtful
+2.14	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK				2	2	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.14.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257	0				100.0	Doubtful
+2.14.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257	0				100.0	Doubtful
+2.15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID				4	4	100.0	0	Doubtful
+	Protein(s)	Sequence	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Decoy	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+2.15.1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201	0				100.0	Doubtful
+2.15.2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827	0				100.0	Doubtful
+2.15.3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201	0				100.0	Doubtful
+2.15.4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827	0				100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_peptides
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_peptides	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,17 @@
+	Protein(s)	Protein Group(s)	#Validated Protein Group(s)	Unique Database	Sequence	Modified Sequence	Position	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH	511; 504; 29	SK; SK; SK	SK; SK; SK				2	2	100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	YESQLSQIR	NH2-YESQLSQIR-COOH	323; 323	AR; AR	QS; QS				2	2	100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH	37; 37	RR; RR	AS; AS				2	2	100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH	128; 128	RR; RR	NL; NL				2	2	100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH	161; 161	LK; LK	IN; IN				2	2	100.0	Doubtful
+6	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH	442; 442	NR; NR	SE; SE				4	4	100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH	63; 63	GR; GR	DM; DM				2	2	100.0	Doubtful
+8	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	LISATSISPEHK	NH2-LISATSISPEHK-COOH	549; 542; 67	DR; DR; DR	ID; ID; ID				4	4	100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH	403; 403	NK; NK	LS; LS				4	4	100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH	147; 147	AK; AK	IS; IS				4	4	100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SLQAENEQLR	NH2-SLQAENEQLR-COOH	110; 110	VR; VR	LK; LK				2	2	100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH	590; 583; 108	AK; AK; AK	NS; NS; NS				2	2	100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH	373; 373	MK; MK	SN; SN				2	2	100.0	Doubtful
+14	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 (Doubtful)	1	1	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH	298; 298	MR; MR	YQ; YQ				2	2	100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH	254; 254	QK; QK	SV; SV				4	4	100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH	179; 179	AR; AR	LI; LI				2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_peptides_nonvalidated
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_peptides_nonvalidated	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,17 @@
+	Protein(s)	Protein Group(s)	#Validated Protein Group(s)	Unique Database	Sequence	Modified Sequence	Position	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH	511; 504; 29	SK; SK; SK	SK; SK; SK				2	2	100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	YESQLSQIR	NH2-YESQLSQIR-COOH	323; 323	AR; AR	QS; QS				2	2	100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH	37; 37	RR; RR	AS; AS				2	2	100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH	128; 128	RR; RR	NL; NL				2	2	100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH	161; 161	LK; LK	IN; IN				2	2	100.0	Doubtful
+6	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH	442; 442	NR; NR	SE; SE				4	4	100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH	63; 63	GR; GR	DM; DM				2	2	100.0	Doubtful
+8	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	LISATSISPEHK	NH2-LISATSISPEHK-COOH	549; 542; 67	DR; DR; DR	ID; ID; ID				4	4	100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH	403; 403	NK; NK	LS; LS				4	4	100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH	147; 147	AK; AK	IS; IS				4	4	100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SLQAENEQLR	NH2-SLQAENEQLR-COOH	110; 110	VR; VR	LK; LK				2	2	100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH	590; 583; 108	AK; AK; AK	NS; NS; NS				2	2	100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH	373; 373	MK; MK	SN; SN				2	2	100.0	Doubtful
+14	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 (Doubtful)	1	1	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH	298; 298	MR; MR	YQ; YQ				2	2	100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH	254; 254	QK; QK	SV; SV				4	4	100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH	179; 179	AR; AR	LI; LI				2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_peptides_phosphorylation
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_peptides_phosphorylation	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,17 @@
+	Protein(s)	Protein Group(s)	#Validated Protein Group(s)	Unique Database	Sequence	Modified Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	Confident Phosphosites	#Confident Phosphosites	Ambiguous Phosphosites	#Ambiguous Phosphosites	#Validated PSMs	#PSMs	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH	SK; SK; SK	SK; SK; SK								2	2	100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	YESQLSQIR	NH2-YESQLSQIR-COOH	AR; AR	QS; QS								2	2	100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH	RR; RR	AS; AS								2	2	100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH	RR; RR	NL; NL								2	2	100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH	LK; LK	IN; IN								2	2	100.0	Doubtful
+6	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH	NR; NR	SE; SE								4	4	100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH	GR; GR	DM; DM								2	2	100.0	Doubtful
+8	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	LISATSISPEHK	NH2-LISATSISPEHK-COOH	DR; DR; DR	ID; ID; ID								4	4	100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH	NK; NK	LS; LS								4	4	100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH	AK; AK	IS; IS								4	4	100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	SLQAENEQLR	NH2-SLQAENEQLR-COOH	VR; VR	LK; LK								2	2	100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH	AK; AK; AK	NS; NS; NS								2	2	100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH	MK; MK	SN; SN								2	2	100.0	Doubtful
+14	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 (Doubtful)	1	1	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH	MR; MR	YQ; YQ								2	2	100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH	QK; QK	SV; SV								4	4	100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 (Doubtful)	1	1	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH	AR; AR	LI; LI								2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_proteins
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_proteins	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,3 @@
+	Main Accession	Description	Gene Name	Chromosome	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting	Confidently Localized Modification Sites	# Confidently Localized Modification Sites	Ambiguously Localized Modification Sites	#Ambiguously Localized Modification Sites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated Unique	#Unique to Group	#Validated Unique to Group	#Validated PSMs	#PSMs	Confidence [%]	Validation
+1	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91				69.96963713242043	100.0	3.25	4451.587393160344					Related Proteins	cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	1	1	1	1	1	1	2	2	100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67				69.88215380565927	92.52	37.58	24162.449974467898					Related Proteins	cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	15	15	15	15	15	15	40	40	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_proteins_nonvalidated
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_proteins_nonvalidated	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,3 @@
+	Main Accession	Description	Gene Name	Chromosome	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting	Confidently Localized Modification Sites	# Confidently Localized Modification Sites	Ambiguously Localized Modification Sites	#Ambiguously Localized Modification Sites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated Unique	#Unique to Group	#Validated Unique to Group	#Validated PSMs	#PSMs	Confidence [%]	Validation
+1	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91				69.96963713242043	100.0	3.25	4451.587393160344					Related Proteins	cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	1	1	1	1	1	1	2	2	100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67				69.88215380565927	92.52	37.58	24162.449974467898					Related Proteins	cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	15	15	15	15	15	15	40	40	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_proteins_phosphorylation
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_proteins_phosphorylation	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,3 @@
+	Main Accession	Description	Gene Name	Chromosome	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting NSAF	Confident Phosphosites	#Confident Phosphosites	Ambiguous Phosphosites	#Ambiguous Phosphosites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated Unique	#Unique to Group	#Validated Unique to Group	#Validated PSMs	#PSMs	Confidence [%]	Validation
+1	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91				69.96963713242043	100.0	3.25	0.0032520325203252032		0		0	Related Proteins	cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	1	1	1	1	1	1	2	2	100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67				69.88215380565927	92.52	37.58	0.017651472642866785		0		0	Related Proteins	cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	15	15	15	15	15	15	40	40	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_psm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_psm	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,43 @@
+	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318				100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501				100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894				100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897				100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943				100.0	Doubtful
+6	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665				100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467				100.0	Doubtful
+8	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665				100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305				100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309				100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257				100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
+14	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305				100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
+17	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501				100.0	Doubtful
+18	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
+19	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406				100.0	Doubtful
+20	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938				100.0	Doubtful
+21	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309				100.0	Doubtful
+22	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069				100.0	Doubtful
+23	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
+24	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069				100.0	Doubtful
+25	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318				100.0	Doubtful
+26	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
+27	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406				100.0	Doubtful
+28	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
+29	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201				100.0	Doubtful
+30	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257				100.0	Doubtful
+31	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938				100.0	Doubtful
+32	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
+33	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
+34	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201				100.0	Doubtful
+35	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467				100.0	Doubtful
+36	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943				100.0	Doubtful
+37	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223				100.0	Doubtful
+38	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897				100.0	Doubtful
+39	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894				100.0	Doubtful
+40	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223				100.0	Doubtful
+41	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509				100.0	Doubtful
+42	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509				100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_psm_nonvalidated
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_psm_nonvalidated	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,43 @@
+	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318				100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501				100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894				100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897				100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943				100.0	Doubtful
+6	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665				100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467				100.0	Doubtful
+8	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665				100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305				100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309				100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257				100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
+14	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305				100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
+17	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501				100.0	Doubtful
+18	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
+19	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406				100.0	Doubtful
+20	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938				100.0	Doubtful
+21	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309				100.0	Doubtful
+22	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069				100.0	Doubtful
+23	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
+24	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069				100.0	Doubtful
+25	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318				100.0	Doubtful
+26	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
+27	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406				100.0	Doubtful
+28	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
+29	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201				100.0	Doubtful
+30	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257				100.0	Doubtful
+31	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938				100.0	Doubtful
+32	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
+33	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
+34	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201				100.0	Doubtful
+35	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467				100.0	Doubtful
+36	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943				100.0	Doubtful
+37	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223				100.0	Doubtful
+38	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897				100.0	Doubtful
+39	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894				100.0	Doubtful
+40	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223				100.0	Doubtful
+41	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509				100.0	Doubtful
+42	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509				100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.output_psm_phosphorylation
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/peptide_shaker_modifications_result1.output_psm_phosphorylation	Fri Oct 12 08:56:06 2018 -0400
@@ -0,0 +1,43 @@
+	Protein(s)	Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confident Phosphosites	#Confident Phosphosites	Ambiguous Phosphosites	#Ambiguous Phosphosites	Confidence [%]	Validation
+1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318								100.0	Doubtful
+2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501								100.0	Doubtful
+3	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894								100.0	Doubtful
+4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897								100.0	Doubtful
+5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943								100.0	Doubtful
+6	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665								100.0	Doubtful
+7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467								100.0	Doubtful
+8	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.14449845571	0	6.2066377342036665								100.0	Doubtful
+9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312								100.0	Doubtful
+10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305								100.0	Doubtful
+11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309								100.0	Doubtful
+12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257								100.0	Doubtful
+13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005								100.0	Doubtful
+14	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349								100.0	Doubtful
+15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983401739305								100.0	Doubtful
+16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414								100.0	Doubtful
+17	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486903	0	-9.522902824571501								100.0	Doubtful
+18	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312								100.0	Doubtful
+19	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406								100.0	Doubtful
+20	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938								100.0	Doubtful
+21	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.91079757128	0	1.643983659206309								100.0	Doubtful
+22	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069								100.0	Doubtful
+23	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414								100.0	Doubtful
+24	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486903	0	-6.678955564950069								100.0	Doubtful
+25	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.0560840995904	0	5.225020941769318								100.0	Doubtful
+26	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827								100.0	Doubtful
+27	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564503	0	-2.731669916283406								100.0	Doubtful
+28	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005								100.0	Doubtful
+29	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201								100.0	Doubtful
+30	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.224205328391	0	2.5264056584343257								100.0	Doubtful
+31	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.0560840995904	0	5.228649666852938								100.0	Doubtful
+32	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827								100.0	Doubtful
+33	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349								100.0	Doubtful
+34	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.481004205034201								100.0	Doubtful
+35	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127983906467								100.0	Doubtful
+36	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.2324313291878943								100.0	Doubtful
+37	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223								100.0	Doubtful
+38	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.0583092202605	0	-1.1628605151025897								100.0	Doubtful
+39	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.063410823544894								100.0	Doubtful
+40	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146706	0	-1.7720894394949223								100.0	Doubtful
+41	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509								100.0	Doubtful
+42	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.113546101111509								100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_modifications_result1.zip
Binary file test-data/peptide_shaker_modifications_result1.zip has changed
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_peptides_phoshorylation_result2.tabular
--- a/test-data/peptide_shaker_peptides_phoshorylation_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,17 +0,0 @@
-	Protein(s)	Protein Group(s)	#Validated Protein Group(s)	Unique Database	Sequence	Modified Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	Confident Phosphosites	#Confident Phosphosites	Ambiguous Phosphosites	#Ambiguous Phosphosites	#Validated PSMs	#PSMs	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH	SK; SK; SK	SK; SK; SK								2	2	100.0	Doubtful
-2	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	YESQLSQIR	NH2-YESQLSQIR-COOH	AR; AR	QS; QS								2	2	100.0	Doubtful
-3	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH	RR; RR	AS; AS								2	2	100.0	Doubtful
-4	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH	RR; RR	NL; NL								2	2	100.0	Doubtful
-5	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH	LK; LK	IN; IN								2	2	100.0	Doubtful
-6	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH	NR; NR	SE; SE								4	4	100.0	Doubtful
-7	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH	GR; GR	DM; DM								2	2	100.0	Doubtful
-8	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	LISATSISPEHK	NH2-LISATSISPEHK-COOH	DR; DR; DR	ID; ID; ID								4	4	100.0	Doubtful
-9	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH	NK; NK	LS; LS								4	4	100.0	Doubtful
-10	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH	AK; AK	IS; IS								4	4	100.0	Doubtful
-11	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	SLQAENEQLR	NH2-SLQAENEQLR-COOH	VR; VR	LK; LK								2	2	100.0	Doubtful
-12	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH	AK; AK; AK	NS; NS; NS								2	2	100.0	Doubtful
-13	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH	MK; MK	SN; SN								2	2	100.0	Doubtful
-14	cds.comp52727_c0_seq1; cds.comp52727_c0_seq2	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2 (Doubtful)	1	1	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH	MR; MR	YQ; YQ								2	2	100.0	Doubtful
-15	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH	QK; QK	SV; SV								4	4	100.0	Doubtful
-16	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH	AR; AR	LI; LI								2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_peptides_result2.tabular
--- a/test-data/peptide_shaker_peptides_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,17 +0,0 @@
-	Protein(s)	Protein Group(s)	#Validated Protein Group(s)	Unique Database	Sequence	Modified Sequence	Position	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH	511; 504; 29	SK; SK; SK	SK; SK; SK				2	2	100.0	Doubtful
-2	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	YESQLSQIR	NH2-YESQLSQIR-COOH	323; 323	AR; AR	QS; QS				2	2	100.0	Doubtful
-3	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH	37; 37	RR; RR	AS; AS				2	2	100.0	Doubtful
-4	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH	128; 128	RR; RR	NL; NL				2	2	100.0	Doubtful
-5	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH	161; 161	LK; LK	IN; IN				2	2	100.0	Doubtful
-6	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH	442; 442	NR; NR	SE; SE				4	4	100.0	Doubtful
-7	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH	63; 63	GR; GR	DM; DM				2	2	100.0	Doubtful
-8	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	LISATSISPEHK	NH2-LISATSISPEHK-COOH	549; 542; 67	DR; DR; DR	ID; ID; ID				4	4	100.0	Doubtful
-9	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH	403; 403	NK; NK	LS; LS				4	4	100.0	Doubtful
-10	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH	147; 147	AK; AK	IS; IS				4	4	100.0	Doubtful
-11	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	SLQAENEQLR	NH2-SLQAENEQLR-COOH	110; 110	VR; VR	LK; LK				2	2	100.0	Doubtful
-12	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2; cds.comp41779_c0_seq3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH	590; 583; 108	AK; AK; AK	NS; NS; NS				2	2	100.0	Doubtful
-13	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH	373; 373	MK; MK	SN; SN				2	2	100.0	Doubtful
-14	cds.comp52727_c0_seq1; cds.comp52727_c0_seq2	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2 (Doubtful)	1	1	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH	298; 298	MR; MR	YQ; YQ				2	2	100.0	Doubtful
-15	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH	254; 254	QK; QK	SV; SV				4	4	100.0	Doubtful
-16	cds.comp41779_c0_seq1; cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2 (Doubtful)	1	1	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH	179; 179	AR; AR	LI; LI				2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_peptides_result3.tabular
--- a/test-data/peptide_shaker_peptides_result3.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,17 +0,0 @@
-	Protein(s)	Sequence	Modified Sequence	AAs Before	AAs After	Variable Modifications	Fixed Modifications	Localization Confidence	#Validated PSMs	#PSMs	Confidence	Decoy	Validation
-1	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	NLLLDANKENGELK	NH2-NLLLDANKENGELK-COOH	AK; AK	IS; IS				4	4	100.0	0	Doubtful
-2	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISTGYITENIGGFR	NH2-ISTGYITENIGGFR-COOH	NR; NR	SE; SE				4	4	100.0	0	Doubtful
-3	cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92	EIRDEYDNQLNLLSADLESK	NH2-EIRDEYDNQLNLLSADLESK-COOH	MR; MR	YQ; YQ				2	2	100.0	0	Doubtful
-4	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	INEDRIDELQDKVNK	NH2-INEDRIDELQDKVNK-COOH	AR; AR	LI; LI				2	2	100.0	0	Doubtful
-5	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SHVVGAGLGGGSMGSMNQSMSLHGGR	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH	RR; RR	AS; AS				2	2	100.0	0	Doubtful
-6	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	LISATSISPEHK	NH2-LISATSISPEHK-COOH	DR; DR; DR	ID; ID; ID				4	4	100.0	0	Doubtful
-7	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ISITTYEEEIEDLHATAR	NH2-ISITTYEEEIEDLHATAR-COOH	LK; LK	IN; IN				2	2	100.0	0	Doubtful
-8	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	VGNLEEELEFLR	NH2-VGNLEEELEFLR-COOH	QK; QK	SV; SV				4	4	100.0	0	Doubtful
-9	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	SVISIGEVESEGQYVTLENTSSGR	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH	SK; SK; SK	SK; SK; SK				2	2	100.0	0	Doubtful
-10	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	SLQAENEQLR	NH2-SLQAENEQLR-COOH	VR; VR	LK; LK				2	2	100.0	0	Doubtful
-11	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	LHVEMESMIEELQMLMDAK	NH2-LHVEMESMIEELQMLMDAK-COOH	NK; NK	LS; LS				4	4	100.0	0	Doubtful
-12	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10	KGDIIATVDEWGPVNR	NH2-KGDIIATVDEWGPVNR-COOH	AK; AK; AK	NS; NS; NS				2	2	100.0	0	Doubtful
-13	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	EFDVEPLKEAYQAEIDEAK	NH2-EFDVEPLKEAYQAEIDEAK-COOH	RR; RR	NL; NL				2	2	100.0	0	Doubtful
-14	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	ASLGMAAGVAGGIATK	NH2-ASLGMAAGVAGGIATK-COOH	GR; GR	DM; DM				2	2	100.0	0	Doubtful
-15	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	YESQLSQIR	NH2-YESQLSQIR-COOH	AR; AR	QS; QS				2	2	100.0	0	Doubtful
-16	cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67	MEIITITNQLQR	NH2-MEIITITNQLQR-COOH	MK; MK	SN; SN				2	2	100.0	0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_proteins_phoshorylation_result2.tabular
--- a/test-data/peptide_shaker_proteins_phoshorylation_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,3 +0,0 @@
-	Main Accession	Description	Gene Name	Chromosome	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting NSAF	Confident Phosphosites	#Confident Phosphosites	Ambiguous Phosphosites	#Ambiguous Phosphosites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated Unique	#Unique to Group	#Validated Unique to Group	#Validated PSMs	#PSMs	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1	m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67			69.88215380565927	92.52	37.58	0.017651472642866785		0		0	Related Proteins	cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	15	15	15	15	15	15	40	40	100.0	Doubtful
-2	cds.comp52727_c0_seq1	m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91			69.96963713242043	100.0	3.25	0.0032520325203252032		0		0	Related Proteins	cds.comp52727_c0_seq2	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	1	1	1	1	1	1	2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_proteins_result2.tabular
--- a/test-data/peptide_shaker_proteins_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,3 +0,0 @@
-	Main Accession	Description	Gene Name	Chromosome	MW [kDa]	Possible Coverage [%]	Coverage [%]	Spectrum Counting	Confidently Localized Modification Sites	# Confidently Localized Modification Sites	Ambiguously Localized Modification Sites	#Ambiguously Localized Modification Sites	Protein Inference	Secondary Accessions	Protein Group	#Validated Peptides	#Peptides	#Unique	#Validated Unique	#Unique to Group	#Validated Unique to Group	#Validated PSMs	#PSMs	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1	m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67			69.88215380565927	92.52	37.58	24162.449974467898					Related Proteins	cds.comp41779_c0_seq2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	15	15	15	15	15	15	40	40	100.0	Doubtful
-2	cds.comp52727_c0_seq1	m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91			69.96963713242043	100.0	3.25	4451.587393160344					Related Proteins	cds.comp52727_c0_seq2	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	1	1	1	1	1	1	2	2	100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_psm_phoshorylation_result2.tabular
--- a/test-data/peptide_shaker_psm_phoshorylation_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,43 +0,0 @@
-	Protein(s)	Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confident Phosphosites	#Confident Phosphosites	Ambiguous Phosphosites	#Ambiguous Phosphosites	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939								100.0	Doubtful
-2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501								100.0	Doubtful
-3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245								100.0	Doubtful
-4	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747								100.0	Doubtful
-5	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939								100.0	Doubtful
-6	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245								100.0	Doubtful
-7	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501								100.0	Doubtful
-8	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349								100.0	Doubtful
-9	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787								100.0	Doubtful
-10	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223								100.0	Doubtful
-11	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312								100.0	Doubtful
-12	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787								100.0	Doubtful
-13	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747								100.0	Doubtful
-14	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406								100.0	Doubtful
-15	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312								100.0	Doubtful
-16	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223								100.0	Doubtful
-17	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364								100.0	Doubtful
-18	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754								100.0	Doubtful
-19	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237								100.0	Doubtful
-20	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827								100.0	Doubtful
-21	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069								100.0	Doubtful
-22	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349								100.0	Doubtful
-23	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375								100.0	Doubtful
-24	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295								100.0	Doubtful
-25	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305								100.0	Doubtful
-26	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237								100.0	Doubtful
-27	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653								100.0	Doubtful
-28	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883								100.0	Doubtful
-29	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653								100.0	Doubtful
-30	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754								100.0	Doubtful
-31	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295								100.0	Doubtful
-32	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375								100.0	Doubtful
-33	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305								100.0	Doubtful
-34	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005								100.0	Doubtful
-35	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414								100.0	Doubtful
-36	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364								100.0	Doubtful
-37	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005								100.0	Doubtful
-38	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406								100.0	Doubtful
-39	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069								100.0	Doubtful
-40	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827								100.0	Doubtful
-41	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883								100.0	Doubtful
-42	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414								100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_psm_result1.tabular
--- a/test-data/peptide_shaker_psm_result1.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,43 +0,0 @@
-	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939				100.0	Doubtful
-2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501				100.0	Doubtful
-3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245				100.0	Doubtful
-4	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747				100.0	Doubtful
-5	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939				100.0	Doubtful
-6	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245				100.0	Doubtful
-7	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501				100.0	Doubtful
-8	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
-9	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787				100.0	Doubtful
-10	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223				100.0	Doubtful
-11	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
-12	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787				100.0	Doubtful
-13	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747				100.0	Doubtful
-14	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406				100.0	Doubtful
-15	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
-16	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223				100.0	Doubtful
-17	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364				100.0	Doubtful
-18	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754				100.0	Doubtful
-19	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237				100.0	Doubtful
-20	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
-21	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069				100.0	Doubtful
-22	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
-23	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375				100.0	Doubtful
-24	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295				100.0	Doubtful
-25	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305				100.0	Doubtful
-26	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237				100.0	Doubtful
-27	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653				100.0	Doubtful
-28	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883				100.0	Doubtful
-29	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653				100.0	Doubtful
-30	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754				100.0	Doubtful
-31	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295				100.0	Doubtful
-32	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375				100.0	Doubtful
-33	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305				100.0	Doubtful
-34	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
-35	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
-36	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364				100.0	Doubtful
-37	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
-38	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406				100.0	Doubtful
-39	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069				100.0	Doubtful
-40	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
-41	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883				100.0	Doubtful
-42	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
diff -r 64e3a8cc8ffb -r 58a3e6cb2598 test-data/peptide_shaker_psm_result2.tabular
--- a/test-data/peptide_shaker_psm_result2.tabular	Thu Sep 27 04:31:53 2018 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,43 +0,0 @@
-	Protein(s)	Sequence	AAs Before	AAs After	Position	Modified Sequence	Variable Modifications	Fixed Modifications	Spectrum File	Spectrum Title	Spectrum Scan Number	RT	m/z	Measured Charge	Identification Charge	Theoretical Mass	Isotope Number	Precursor m/z Error [ppm]	Localization Confidence	Probabilistic PTM score	D-score	Confidence [%]	Validation
-1	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198, +MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939				100.0	Doubtful
-2	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207,  MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501				100.0	Doubtful
-3	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636,  MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245				100.0	Doubtful
-4	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748, +MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747				100.0	Doubtful
-5	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1198,  MSn(1139.0413), 115.6 min		-1.0	1139.04127	2+	2+	2276.05608409959	0	5.225020941968939				100.0	Doubtful
-6	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	MEIITITNQLQR	MK; MK	SN; SN	373; 373	NH2-MEIITITNQLQR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 636, +MSn(730.3981), 66.9 min		-1.0	730.39814	2+	2+	1458.7864490053003	0	-3.232431329032245				100.0	Doubtful
-7	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 207, +MSn(785.9179), 35.7 min		-1.0	785.91791	2+	2+	1569.8362356486905	0	-9.522902824571501				100.0	Doubtful
-8	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220,  MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
-9	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736,  MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787				100.0	Doubtful
-10	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81,  MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223				100.0	Doubtful
-11	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875, +MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
-12	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	EFDVEPLKEAYQAEIDEAK	RR; RR	NL; NL	128; 128	NH2-EFDVEPLKEAYQAEIDEAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 736, +MSn(742.0258), 75.1 min		-1.0	742.02585	3+	3+	2223.05830922026	0	-1.1628605149493787				100.0	Doubtful
-13	cds.comp52727_c0_seq1, cds.comp52727_c0_seq2	EIRDEYDNQLNLLSADLESK	MR; MR	YQ; YQ	298; 298	NH2-EIRDEYDNQLNLLSADLESK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 748,  MSn(789.0604), 76.1 min		-1.0	789.06034	3+	3+	2364.1444984557097	0	6.206637734347747				100.0	Doubtful
-14	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357,  MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406				100.0	Doubtful
-15	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 875,  MSn(483.2538), 89.2 min		-1.0	483.25374	3+	3+	1446.7354589782603	0	2.711916908512312				100.0	Doubtful
-16	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	INEDRIDELQDKVNK	AR; AR	LI; LI	179; 179	NH2-INEDRIDELQDKVNK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 81, +MSn(610.3171), 27.0 min		-1.0	610.31708	3+	3+	1827.9326552146704	0	-1.7720894394949223				100.0	Doubtful
-17	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197,  MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364				100.0	Doubtful
-18	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871,  MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754				100.0	Doubtful
-19	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75,  MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237				100.0	Doubtful
-20	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72,  MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
-21	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204,  MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069				100.0	Doubtful
-22	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SHVVGAGLGGGSMGSMNQSMSLHGGR	RR; RR	AS; AS	37; 37	NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 220, +MSn(824.3852), 36.3 min		-1.0	824.38516	3+	3+	2470.1263804604496	0	2.939629370057349				100.0	Doubtful
-23	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588,  MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375				100.0	Doubtful
-24	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582,  MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295				100.0	Doubtful
-25	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758, +MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305				100.0	Doubtful
-26	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 75, +MSn(641.8547), 26.7 min		-1.0	641.85466	2+	2+	1281.6928658902905	0	1.4810042052113237				100.0	Doubtful
-27	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67,  MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653				100.0	Doubtful
-28	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39,  MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883				100.0	Doubtful
-29	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	YESQLSQIR	AR; AR	QS; QS	323; 323	NH2-YESQLSQIR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 67, +MSn(562.2947), 26.3 min		-1.0	562.29468	2+	2+	1122.5669371011802	0	6.998127984108653				100.0	Doubtful
-30	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	VGNLEEELEFLR	QK; QK	SV; SV	254; 254	NH2-VGNLEEELEFLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 871, +MSn(724.3762), 88.9 min		-1.0	724.37624	2+	2+	1446.7354589782603	0	1.7035983403308754				100.0	Doubtful
-31	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	KGDIIATVDEWGPVNR	AK; AK; AK	NS; NS; NS	590; 583; 108	NH2-KGDIIATVDEWGPVNR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 582, +MSn(590.6452), 63.2 min		-1.0	590.64518	3+	3+	1768.9107975712802	0	1.6439836590138295				100.0	Doubtful
-32	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 588, +MSn(764.3961), 63.5 min		-1.0	764.39611	2+	2+	1526.7729071161402	0	3.1135461012602375				100.0	Doubtful
-33	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	SVISIGEVESEGQYVTLENTSSGR	SK; SK; SK	SK; SK; SK	511; 504; 29	NH2-SVISIGEVESEGQYVTLENTSSGR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 758,  MSn(847.7508), 76.8 min		-1.0	847.75082	3+	3+	2540.2242053283903	0	2.5264056585684305				100.0	Doubtful
-34	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752, +MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
-35	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591,  MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful
-36	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	LHVEMESMIEELQMLMDAK	NK; NK	LS; LS	403; 403	NH2-LHVEMESMIEELQMLMDAK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 1197, +MSn(759.6966), 115.6 min		-1.0	759.69661	3+	3+	2276.05608409959	0	5.2286496671522364				100.0	Doubtful
-37	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISITTYEEEIEDLHATAR	LK; LK	IN; IN	161; 161	NH2-ISITTYEEEIEDLHATAR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 752,  MSn(697.6842), 76.3 min		-1.0	697.68418	3+	3+	2090.0167787614505	0	6.6562738302421005				100.0	Doubtful
-38	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ASLGMAAGVAGGIATK	GR; GR	DM; DM	63; 63	NH2-ASLGMAAGVAGGIATK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 357, +MSn(687.8723), 46.6 min		-1.0	687.87224	2+	2+	1373.7336851564505	0	-2.731669916283406				100.0	Doubtful
-39	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	NLLLDANKENGELK	AK; AK	IS; IS	147; 147	NH2-NLLLDANKENGELK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 204, +MSn(524.2825), 35.5 min		-1.0	524.28252	3+	3+	1569.8362356486905	0	-6.678955564950069				100.0	Doubtful
-40	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2, cds.comp41779_c0_seq3	LISATSISPEHK	DR; DR; DR	ID; ID; ID	549; 542; 67	NH2-LISATSISPEHK-COOH			searchgui_tinyspectra1.mgf	 Cmpd 72, +MSn(428.2391), 26.6 min		-1.0	428.23909	3+	3+	1281.6928658902905	0	2.0041097707959827				100.0	Doubtful
-41	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	SLQAENEQLR	VR; VR	LK; LK	110; 110	NH2-SLQAENEQLR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 39, +MSn(594.3056), 25.0 min		-1.0	594.30561	2+	2+	1186.5942144781802	0	2.0634108237361883				100.0	Doubtful
-42	cds.comp41779_c0_seq1, cds.comp41779_c0_seq2	ISTGYITENIGGFR	NR; NR	SE; SE	442; 442	NH2-ISTGYITENIGGFR-COOH			searchgui_tinyspectra1.mgf	 Cmpd 591, +MSn(509.9328), 63.7 min		-1.0	509.93283	3+	3+	1526.7729071161402	0	2.4535863107993414				100.0	Doubtful