# HG changeset patch # User galaxyp # Date 1563613265 14400 # Node ID 8bac3cc5c5de0c388c0f5b95e9d027fd6c970a4f # Parent d4b6c9eae6358d89cf8fdf9ecee917fa3e6c38a9 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847 diff -r d4b6c9eae635 -r 8bac3cc5c5de LICENSE --- a/LICENSE Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,11 +0,0 @@ ---2012-09-19 08:46:18-- http://www.apache.org/licenses/LICENSE-2.0.txt -Resolving www.apache.org... 140.211.11.131, 192.87.106.229, 2001:610:1:80bc:192:87:106:229 -Connecting to www.apache.org|140.211.11.131|:80... connected. -HTTP request sent, awaiting response... 200 OK -Length: 11358 (11K) [text/plain] -Saving to: “LICENSE-2.0.txt” - - 0K .......... . 100% 200K=0.06s - -2012-09-19 08:46:18 (200 KB/s) - “LICENSE-2.0.txt” saved [11358/11358] - diff -r d4b6c9eae635 -r 8bac3cc5c5de README.md --- a/README.md Fri May 10 17:22:51 2013 -0400 +++ b/README.md Sat Jul 20 05:01:05 2019 -0400 @@ -1,34 +1,27 @@ -Tool wrapper for MaxQuant. +GalaxyP - MaxQuant +================== -MaxQuant is a Windows only program and so you will likely need to -deploy this tool to run on a remote Windows system via the LWR -(https://lwr.readthedocs.org). +* Home: +* Tool ID: `maxquant` +* Tool Type: `default` -The sample mods file maxquant_mods.loc.sample corresponds to the -default modifications MaxQuant is configured with. The Galaxy-P -project uses a MaxQuant that has been extended with all of Unimod. To -modify MaxQuant in this fashion replace MaxQuant's modifications.xml -file with the extended_modifications.xml distributed with this tool -and configure Galaxy with the maxquant_mods.loc.sample.extended loc -file.# Obtaining Tools -Repositories for all Galaxy-P tools can be found at -https:/bitbucket.org/galaxyp/. +Description +----------- + +Wrapper for the MaxQuant version available in conda. + -# Contact - -Please send suggestions for improvements and bug reports to -jmchilton@gmail.com. - -# License +Updating +-------- -All Galaxy-P tools are licensed under the Apache License Version 2.0 -unless otherwise documented. - -# Tool Versioning +MaxQuant often changes the layout of its parameters file. +So changes to the code are likely to be necessary when +updating to a new version of MaxQuant. The init.py script +can be used to initialize the tool with a new list of +modifications or enzymes. From the tool dir run: -Galaxy-P tools will have versions of the form X.Y.Z. Versions -differing only after the second decimal should be completely -compatible with each other. Breaking changes should result in an -increment of the number before and/or after the first decimal. All -tools of version less than 1.0.0 should be considered beta. +./init.py -m MODIFICATIONS.XML -e ENZYMES.XML + +The location of these xml files usually is: +ANACONDA_DIR/bin/conf/ \ No newline at end of file diff -r d4b6c9eae635 -r 8bac3cc5c5de README_GALAXYP.md --- a/README_GALAXYP.md Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,22 +0,0 @@ -# Obtaining Tools - -Repositories for all Galaxy-P tools can be found at -https:/bitbucket.org/galaxyp/. - -# Contact - -Please send suggestions for improvements and bug reports to -jmchilton@gmail.com. - -# License - -All Galaxy-P tools are licensed under the Apache License Version 2.0 -unless otherwise documented. - -# Tool Versioning - -Galaxy-P tools will have versions of the form X.Y.Z. Versions -differing only after the second decimal should be completely -compatible with each other. Breaking changes should result in an -increment of the number before and/or after the first decimal. All -tools of version less than 1.0.0 should be considered beta. diff -r d4b6c9eae635 -r 8bac3cc5c5de README_REPO.md --- a/README_REPO.md Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,13 +0,0 @@ -Tool wrapper for MaxQuant. - -MaxQuant is a Windows only program and so you will likely need to -deploy this tool to run on a remote Windows system via the LWR -(https://lwr.readthedocs.org). - -The sample mods file maxquant_mods.loc.sample corresponds to the -default modifications MaxQuant is configured with. The Galaxy-P -project uses a MaxQuant that has been extended with all of Unimod. To -modify MaxQuant in this fashion replace MaxQuant's modifications.xml -file with the extended_modifications.xml distributed with this tool -and configure Galaxy with the maxquant_mods.loc.sample.extended loc -file. \ No newline at end of file diff -r d4b6c9eae635 -r 8bac3cc5c5de augment_maxquant_mods.py --- a/augment_maxquant_mods.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,166 +0,0 @@ -#!/usr/bin/env python -""" -Usage: - python augment_maxquant_mods.py - -Assuming Unimod XML file (unimod.xml) and stock MaxQuant modifications -file (modifications.xml) are in this same directory, this script will -create a new MaxQuant modifications file (extended_modifications.xml) -with an a new modification for each unimod entry. These new entires -will be suffixed with [Unimod] to distinguish them from existing -MaxQuant entries. This file should be copied to -\bin\conf\modifications.xml - -""" -import xml.etree.ElementTree as ET -import re - -FAKE_DATE = "2012-06-11T21:21:24.4946343+02:00" - -POSITION_MAP = { - "Anywhere": "anywhere", - "Any N-term": "anyNterm", - "Any C-term": "anyCterm", - "Protein N-term": "proteinNterm", - "Protein C-term": "proteinCterm", -} - -unimod_tree = ET.parse('unimod.xml') -unimod_ns = '{http://www.unimod.org/xmlns/schema/unimod_2}' -unimod_modifications_el = unimod_tree.getroot().find('%smodifications' % unimod_ns) -mq_tree = ET.parse("modifications.xml") -mq_root = mq_tree.getroot() - - -def to_label(title, site): - return "%s (%s) [Unimod]" % (title, site) - - -def copy_modification(unimod_modification): - if unimod_modification.hidden: - return False - if unimod_modification.delta_el is None: - return False - comp_array = unimod_modification.composition_array - for aa, count in comp_array: - if len(aa) > 1 and aa not in COMP_REPLACES.keys(): - # Complex stuff like Hep, that I cannot translate into MaxQuant. - return False - return True - - -COMP_REPLACES = { - "15N": "Nx", - "13C": "Cx", - "18O": "Ox", - "2H": "Hx", -} - -## HEP? - - -def convert_composition(unimod_composition): - """ - Convert Unimod representation of composition to MaxQuant - """ - composition = unimod_composition - for key, value in COMP_REPLACES.iteritems(): - composition = composition.replace(key, value) - print composition - return composition - - -def populate_modification(modification, unimod_modification): - """ - Copy unimod entry ``unimod_modification`` to MaxQuant entry ``modification``. - """ - attrib = modification.attrib - attrib["create_date"] = FAKE_DATE - attrib["last_modified_date"] = FAKE_DATE - attrib["reporterCorrectionM1"] = str(0) - attrib["reporterCorrectionM2"] = str(0) - attrib["reporterCorrectionP1"] = str(0) - attrib["reporterCorrectionP2"] = str(0) - attrib["user"] = "build_mods_script" - label = unimod_modification.label - attrib["title"] = label - attrib["description"] = label - attrib["composition"] = convert_composition(unimod_modification.raw_composition) - unimod_position = unimod_modification.position - maxquant_position = POSITION_MAP[unimod_position] - assert maxquant_position != None - position_el = ET.SubElement(modification, "position") - position_el.text = maxquant_position - modification_site_el = ET.SubElement(modification, "modification_site") - modification_site_el.attrib["index"] = "0" - unimod_site = unimod_modification.site - modification_site_el.attrib["site"] = "-" if len(unimod_site) > 1 else unimod_site - type_el = ET.SubElement(modification, "type") - type_el.text = "standard" - return modification - - -class UnimodModification: - - def __init__(self, modification, specificity): - self.modification = modification - self.specificity = specificity - - @property - def title(self): - return self.modification.attrib["title"] - - @property - def site(self): - return self.specificity.attrib["site"] - - @property - def label(self): - return "%s (%s) [Unimod]" % (self.title, self.site) - - @property - def delta_el(self): - return self.modification.find("%sdelta" % unimod_ns) - - @property - def raw_composition(self): - return self.delta_el.attrib["composition"] - - @property - def composition_array(self): - raw_composition = self.raw_composition - aa_and_counts = re.split("\s+", raw_composition) - comp_array = [] - for aa_and_count in aa_and_counts: - match = re.match(r"(\w+)(\((-?\d+)\))?", aa_and_count) - aa = match.group(1) - count = match.group(3) or 1 - comp_array.append((aa, count)) - return comp_array - - @property - def position(self): - return self.specificity.attrib["position"] - - @property - def hidden(self): - return self.specificity.attrib["hidden"] == "true" - -unimod_modifications = [] -for mod in unimod_modifications_el.findall('%smod' % unimod_ns): - for specificity in mod.findall('%sspecificity' % unimod_ns): - unimod_modifications.append(UnimodModification(mod, specificity)) - -max_index = 0 -for modification in mq_root.getchildren(): - index = int(modification.attrib["index"]) - max_index = max(max_index, index) - -for unimod_modification in unimod_modifications: - if copy_modification(unimod_modification): - print unimod_modification.composition_array - max_index += 1 - modification = ET.SubElement(mq_root, "modification", attrib={"index": str(max_index)}) - populate_modification(modification, unimod_modification) - -mq_tree.write("extended_modifications.xml") diff -r d4b6c9eae635 -r 8bac3cc5c5de build_mods_loc.py --- a/build_mods_loc.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,17 +0,0 @@ -#!/usr/bin/env python - -import xml.etree.ElementTree as ET -from os.path import exists - -mods_path = "extended_modifications.xml" - -if not exists(mods_path): - mods_path = "modifications.xml" - -tree = ET.parse(mods_path) -modifications_el = tree.getroot() - -with open("maxquant_mods.loc", "w") as output: - for mod in modifications_el.getchildren(): - if mod.find("type").text.strip() == "standard": - output.write("%s\n" % mod.attrib["title"]) diff -r d4b6c9eae635 -r 8bac3cc5c5de build_proteases_loc.py --- a/build_proteases_loc.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,14 +0,0 @@ -#!/usr/bin/env python - -import xml.etree.ElementTree as ET -from os.path import exists - -proteases_path = "proteases.xml" - -tree = ET.parse(proteases_path) -proteases_el = tree.getroot() - -with open("maxquant_proteases.loc", "w") as output: - for protease in proteases_el.getchildren(): - output.write("%s\n" % protease.attrib["name"]) - diff -r d4b6c9eae635 -r 8bac3cc5c5de extended_modifications.xml --- a/extended_modifications.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,2579 +0,0 @@ - - - notCterm - - - - - - - standard - - - proteinNterm - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - - - - - - - - - - - - - - - standard - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - standard - - - anywhere - - - standard - - - anywhere - - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anyNterm - - standard - - - anyNterm - - standard - - - anywhere - - - - - - - - - - - - - - - - - standard - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anyCterm - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm 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-anywherestandardproteinNtermstandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardproteinCtermstandardanyCtermstandardanyNtermstandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanyCtermstandardanyCtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinCtermstandardproteinCtermstandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanyNtermstandardanyNtermstandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanyCtermstandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyCtermstandardanywherestandardanyNtermstandardanywherestandardanywherestandardproteinNtermstandardproteinNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardproteinNtermstandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardanywherestandardanyNtermstandardanywherestandardanyCtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardproteinNtermstandardanywherestandardproteinNtermstandardanyNtermstandardanywherestandardanyNtermstandardanywherestandardanyCtermstandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyCtermstandardanyNtermstandardanywherestandardproteinNtermstandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyCtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanywherestandardanyNtermstandardanywherestandardanywherestandardanywherestandardany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\ No newline at end of file diff -r d4b6c9eae635 -r 8bac3cc5c5de init.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/init.py Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,74 @@ +#!/usr/bin/env python3 +"""Initialize MaxQuant tool for use with a new version of +modifications/enzymes.xml. + +TODO: Append function: only add modifications that are not +already present, add modification entries to conda maxquant + +Authors: Damian Glaetzer + +Usage: init.py [-a] [-m MODS_FILE] [-e ENZYMES_FILE] +FILES are the modifications/enzymes.xml of MaxQuant, located at +/pkgs/maxquant-/bin/conf/. +(for conda installations) + +Updates modification parameters in macros.xml. +""" + +import argparse +import re +import xml.etree.ElementTree as ET +from xml.dom import minidom + + +def build_list(node, name, mod_list, append=False): + """Build the modifications list in macros.xml""" + node.clear() + node.tag = 'xml' + node.set('name', name) + for m in mod_list: + ET.SubElement(node, 'expand', attrib={'macro': 'mod_option', + 'value': m}) + + +parser = argparse.ArgumentParser() +parser.add_argument("-m", "--modifications", + help="modifications.xml of maxquant") +parser.add_argument("-e", "--enzymes", + help="enzymes.xml of maxquant") +args = parser.parse_args() + +if args.modifications: + mods_root = ET.parse(args.modifications).getroot() + + mods = mods_root.findall('modification') + standard_mods = [] + label_mods = [] + for m in mods: + if (m.findtext('type') == 'Standard' + or m.findtext('type') == 'AaSubstitution'): + standard_mods.append(m.get('title')) + elif m.findtext('type') == 'Label': + label_mods.append(m.get('title')) + +if args.enzymes: + enzymes_root = ET.parse(args.enzymes).getroot() + + enzymes = enzymes_root.findall('enzyme') + enzymes_list = [e.get('title') for e in enzymes] + +macros_root = ET.parse('./macros.xml').getroot() +for child in macros_root: + if child.get('name') == 'modification' and args.modifications: + build_list(child, 'modification', standard_mods) + elif child.get('name') == 'label' and args.modifications: + build_list(child, 'label', label_mods) + elif child.get('name') == 'proteases' and args.enzymes: + build_list(child, 'proteases', enzymes_list) + +rough_string = ET.tostring(macros_root, 'utf-8') +reparsed = minidom.parseString(rough_string) +pretty = reparsed.toprettyxml(indent=" ") +even_prettier = re.sub(r"\n\s+\n", r"\n", pretty) +with open('./macros.xml', 'w') as f: + print(even_prettier, file=f) diff -r d4b6c9eae635 -r 8bac3cc5c5de macros.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,485 @@ + + + 1.6.3.4 + [^\w\-\s\.] + + + '@NAME@' in output_opts['output'] + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant.xml --- a/maxquant.xml Fri May 10 17:22:51 2013 -0400 +++ b/maxquant.xml Sat Jul 20 05:01:05 2019 -0400 @@ -1,331 +1,364 @@ - - - - - maxquant - windows - - - ##Describe inputs -#set $type = str($analysis_type.type) -#if $type == "single" -#set $groups = [$analysis_type] -#elif $type == "multi_same" -#set $groups = $analysis_type.groups -#end if -#for $i, $group in enumerate($groups) -num:${str(i + 1)} -#for $input in $group.inputs -name:${input.display_name} -path:${input} -#end for -#end for - - - maxquant_wrapper.py - --input_groups=$inputs_config - --database="${database}" - --database_name="${database.name}" - --protease=$analysis_type.protease - --first_search_tol=$analysis_type.first_search_tol - --main_search_tol=$analysis_type.main_search_tol - --max_missed_cleavages=$analysis_type.max_missed_cleavages - --max_n_mods=$analysis_type.max_n_mods - --variable_mods="${analysis_type.variable_modifications or ''}" - #if $analysis_type.advanced_group_parameters.specify - --do_mass_filtering=$analysis_type.advanced_group_parameters.do_mass_filtering - --max_charge=$analysis_type.advanced_group_parameters.max_charge + + + macros.xml + + + maxquant + python + + '$log' #end if - #if $site_quantification.specify - --site_quant_mode=$site_quantification.site_quant_mode - --use_norm_ratios_for_occupancy=$site_quantification.use_norm_ratios_for_occupancy - #end if - #set $identification_type = str($identification.options_type) - #if $identification_type != "none" - --protein_fdr=$identification.protein_fdr - --peptide_fdr=$identification.peptide_fdr - --site_fdr=$identification.site_fdr - #if $identification_type != "simple" - --peptide_pep=$identification.peptide_pep - #end if - #end if - #if $misc.specify - --re_quantify="$misc.re_quantify" + #if 'output_all' in $output_opts.output + && tar -zcf '$output_all' ./combined/txt #end if - --fixed_mods="${fixed_modifications or ''}" - --output_protein_groups=$output_protein_groups - --output_peptides=$output_peptides - --output_evidence=$output_evidence - --output_parameters=$output_parameters - --output_msms=$output_msms - --output_mqpar=$output_mqpar - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + ]]> + +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + +
+ +
+ + + + + + + + + - - - - - - - - - - - - - - + + + + + + +
+ + + + + + + + + +
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
+
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - +
+ + + + + + + + + + + + + + + + + + + + + +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + datatypes) +- Optional files: + - Tabular file with experimental design template: + - Currently four columns are needed: Name, Fraction, Experiment and PTM. The headers must have this exact naming. Name and Fraction are abitrary strings, Experiment is an integer, PTM is either True or False. + + :: + + Name Fraction Experiment PTM + File1 1 E1 False + File2 2 E1 False + File3 3 E1 False + ... + ... + +**Parameter Options** + +- Quantification options + - label based: + - for two channels: choose options from light and heavy sections, for three channels choose options from light, medium and heavy sections + - label-free + +**Output files** + +Different output file options are available, most of them are part of the MaxQuant txt directory. + ]]> + + + @article{cox2008maxquant, + title={MaxQuant enables high peptide identification rates, individualized + ppb-range mass accuracies and proteome-wide protein quantification}, + author={Cox, J{\"u}rgen and Mann, Matthias}, + journal={Nature biotechnology}, + volume={26}, + number={12}, + pages={1367}, + year={2008}, + publisher={Nature Publishing Group} + } + + + @article{tyanova2016maxquant, + title={The MaxQuant computational platform for mass + spectrometry-based shotgun proteomics}, + author={Tyanova, Stefka and Temu, Tikira and Cox, J{\"u}rgen}, + journal={Nature protocols}, + volume={11}, + number={12}, + pages={2301}, + year={2016}, + publisher={Nature Publishing Group} + } + + diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_mods.loc --- a/maxquant_mods.loc Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1234 +0,0 @@ -Acetyl (K) -Acetyl (Protein N-term) -Carbamidomethyl (C) -Oxidation (M) -Phospho (STY) -GlyGly (K) -Methyl (KR) -Dimethyl (KR) -Trimethyl (K) -Pro5 -Pro6 -Glu->pyro-Glu -Gln->pyro-Glu -OHexNAc -QQTGG (K) -Deamidation (N) -Deamidation 18O (N) -Deamidation (NQ) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Xle -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Arg->Ala -Arg->Asn -Arg->Asp -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -His->Ala -His->Arg -His->Asn -His->Asp -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Ala->CamCys -Arg->CamCys -Asn->CamCys -Asp->CamCys -Gln->CamCys -Glu->CamCys -Gly->CamCys -His->CamCys -Lys->CamCys -Met->CamCys -Phe->CamCys -Pro->CamCys -Ser->CamCys -Thr->CamCys -Trp->CamCys -Tyr->CamCys -Val->CamCys -Xle->CamCys -Acetyl (T) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (S) [Unimod] -Acetyl (C) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (K) [Unimod] -Acetyl (Y) [Unimod] -Acetyl (H) [Unimod] -Amidated (C-term) [Unimod] -Amidated (C-term) [Unimod] -Biotin (N-term) [Unimod] -Biotin (K) [Unimod] -Carbamidomethyl (D) [Unimod] -Carbamidomethyl (H) [Unimod] -Carbamidomethyl (N-term) [Unimod] -Carbamidomethyl (K) [Unimod] -Carbamidomethyl (C) [Unimod] -Carbamidomethyl (E) [Unimod] -Carbamyl (C) [Unimod] -Carbamyl (R) [Unimod] -Carbamyl (N-term) [Unimod] -Carbamyl (K) [Unimod] -Carbamyl (M) [Unimod] -Carboxymethyl (N-term) [Unimod] -Carboxymethyl (K) [Unimod] -Carboxymethyl (C) [Unimod] -Carboxymethyl (W) [Unimod] -Deamidated (R) [Unimod] -Deamidated (N) [Unimod] -Deamidated (Q) [Unimod] -Deamidated (F) [Unimod] -ICAT-G (C) [Unimod] -ICAT-G:2H(8) (C) [Unimod] -Met->Hse (M) [Unimod] -Met->Hsl (M) [Unimod] -ICAT-D:2H(8) (C) [Unimod] -ICAT-D (C) [Unimod] -NIPCAM (C) [Unimod] -PEO-Iodoacetyl-LC-Biotin (C) [Unimod] -Phospho (R) [Unimod] -Phospho (C) [Unimod] -Phospho (D) [Unimod] -Phospho (Y) [Unimod] -Phospho (H) [Unimod] -Phospho (T) [Unimod] -Phospho (S) [Unimod] -Dehydrated (D) [Unimod] -Dehydrated (Y) [Unimod] -Dehydrated (T) [Unimod] -Dehydrated (S) [Unimod] -Dehydrated (N) [Unimod] -Dehydrated (Q) [Unimod] -Dehydrated (C) [Unimod] -Propionamide (C) [Unimod] -Pyridylacetyl (N-term) [Unimod] -Pyridylacetyl (K) [Unimod] -Pyro-carbamidomethyl (C) [Unimod] -Glu->pyro-Glu (E) [Unimod] -Gln->pyro-Glu (Q) [Unimod] -SMA (N-term) [Unimod] -SMA (K) [Unimod] -Pyridylethyl (C) [Unimod] -Methyl (T) [Unimod] -Methyl (S) [Unimod] -Methyl (N-term) [Unimod] -Methyl (E) [Unimod] -Methyl (D) [Unimod] -Methyl (C-term) [Unimod] -Methyl (L) [Unimod] -Methyl (I) [Unimod] -Methyl (R) [Unimod] -Methyl (N-term) [Unimod] -Methyl (Q) [Unimod] -Methyl (N) [Unimod] -Methyl (K) [Unimod] -Methyl (H) [Unimod] -Methyl (C) [Unimod] -Oxidation (W) [Unimod] -Oxidation (H) [Unimod] -Oxidation (C) [Unimod] -Oxidation (M) [Unimod] -Oxidation (R) [Unimod] -Oxidation (Y) [Unimod] -Oxidation (F) [Unimod] -Oxidation (P) [Unimod] -Oxidation (N) [Unimod] -Oxidation (K) [Unimod] -Oxidation (D) [Unimod] -Oxidation (G) [Unimod] -Dimethyl (N) [Unimod] -Dimethyl (N-term) [Unimod] -Dimethyl (R) [Unimod] -Dimethyl (K) [Unimod] -Dimethyl (P) [Unimod] -Trimethyl (A) [Unimod] -Trimethyl (R) [Unimod] -Trimethyl (K) [Unimod] -Methylthio (C) [Unimod] -Methylthio (N) [Unimod] -Methylthio (D) [Unimod] -Sulfo (Y) [Unimod] -Sulfo (T) [Unimod] -Sulfo (S) [Unimod] -Sulfo (C) [Unimod] -Lipoyl (K) [Unimod] -Farnesyl (C) [Unimod] -Myristoyl (C) [Unimod] -Myristoyl (K) [Unimod] -Myristoyl (G) [Unimod] -PyridoxalPhosphate (K) [Unimod] -Palmitoyl (T) [Unimod] -Palmitoyl (S) [Unimod] -Palmitoyl (K) [Unimod] -Palmitoyl (C) [Unimod] -Palmitoyl (N-term) [Unimod] -GeranylGeranyl (C) [Unimod] -Phosphopantetheine (S) [Unimod] -FAD (Y) [Unimod] -FAD (H) [Unimod] -FAD (C) [Unimod] -Tripalmitate (C) [Unimod] -Guanidinyl (K) [Unimod] -HNE (K) [Unimod] -HNE (H) [Unimod] -HNE (C) [Unimod] -Glucuronyl (N-term) [Unimod] -Glucuronyl (S) [Unimod] -Glutathione (C) [Unimod] -Acetyl:2H(3) (N-term) [Unimod] -Acetyl:2H(3) (K) [Unimod] -Propionyl (N-term) [Unimod] -Propionyl (K) [Unimod] -Propionyl:13C(3) (N-term) [Unimod] -Propionyl:13C(3) (K) [Unimod] -GIST-Quat (N-term) [Unimod] -GIST-Quat (K) [Unimod] -GIST-Quat:2H(3) (N-term) [Unimod] -GIST-Quat:2H(3) (K) [Unimod] -GIST-Quat:2H(6) (N-term) [Unimod] -GIST-Quat:2H(6) (K) [Unimod] -GIST-Quat:2H(9) (N-term) [Unimod] -GIST-Quat:2H(9) (K) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (K) [Unimod] -Succinyl:2H(4) (N-term) [Unimod] -Succinyl:2H(4) (K) [Unimod] -Succinyl:13C(4) (N-term) [Unimod] -Succinyl:13C(4) (K) [Unimod] -probiotinhydrazide (P) [Unimod] -Pro->pyro-Glu (P) [Unimod] -His->Asn (H) [Unimod] -His->Asp (H) [Unimod] -Trp->Hydroxykynurenin (W) [Unimod] -Delta:H(4)C(3) (K) [Unimod] -Delta:H(4)C(3) (H) [Unimod] -Delta:H(4)C(2) (K) [Unimod] -Delta:H(4)C(2) (H) [Unimod] -Cys->Dha (C) [Unimod] -Arg->GluSA (R) [Unimod] -Trioxidation (C) [Unimod] -Iminobiotin (N-term) [Unimod] -Iminobiotin (K) [Unimod] -ESP (N-term) [Unimod] -ESP (K) [Unimod] -ESP:2H(10) (N-term) [Unimod] -ESP:2H(10) (K) [Unimod] -NHS-LC-Biotin (N-term) [Unimod] -NHS-LC-Biotin (K) [Unimod] -EDT-maleimide-PEO-biotin (T) [Unimod] -EDT-maleimide-PEO-biotin (S) [Unimod] -IMID (K) [Unimod] -IMID:2H(4) (K) [Unimod] -Lysbiotinhydrazide (K) [Unimod] -Propionamide:2H(3) (C) [Unimod] -Nitro (Y) [Unimod] -Nitro (W) [Unimod] -ICAT-C (C) [Unimod] -Delta:H(2)C(2) (K) [Unimod] -Delta:H(2)C(2) (H) [Unimod] -Trp->Kynurenin (W) [Unimod] -Lys->Allysine (K) [Unimod] -ICAT-C:13C(9) (C) [Unimod] -FormylMet (N-term) [Unimod] -Nethylmaleimide (C) [Unimod] -OxLysBiotinRed (K) [Unimod] -IBTP (C) [Unimod] -OxLysBiotin (K) [Unimod] -OxProBiotinRed (P) [Unimod] -OxProBiotin (P) [Unimod] -OxArgBiotin (R) [Unimod] -OxArgBiotinRed (R) [Unimod] -EDT-iodoacetyl-PEO-biotin (T) [Unimod] -EDT-iodoacetyl-PEO-biotin (S) [Unimod] -GlyGly (T) [Unimod] -GlyGly (S) [Unimod] -GlyGly (C) [Unimod] -GlyGly (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (T) [Unimod] -Formyl (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (S) [Unimod] -Cation:K (C-term) [Unimod] -Cation:K (E) [Unimod] -Cation:K (D) [Unimod] -Thioacyl (N-term) [Unimod] -Thioacyl (K) [Unimod] -Fluoro (W) [Unimod] -Fluoro (F) [Unimod] -Fluoro (Y) [Unimod] -Fluorescein (C) [Unimod] -Iodo (H) [Unimod] -Iodo (Y) [Unimod] -Diiodo (Y) [Unimod] -Triiodo (Y) [Unimod] -Myristoleyl (G) [Unimod] -Pro->Pyrrolidinone (P) [Unimod] -Myristoyl+Delta:H(-4) (G) [Unimod] -Benzoyl (N-term) [Unimod] -Benzoyl (K) [Unimod] -Dansyl (N-term) [Unimod] -Dansyl (K) [Unimod] -a-type-ion (C-term) [Unimod] -Amidine (N-term) [Unimod] -Amidine (K) [Unimod] -NBS:13C(6) (W) [Unimod] -Methyl:2H(3)13C(1) (R) [Unimod] -Dimethyl:2H(6)13C(2) (R) [Unimod] -NBS (W) [Unimod] -Delta:H(1)O(-1)18O(1) (N) [Unimod] -QAT (C) [Unimod] -BHT (H) [Unimod] -BHT (K) [Unimod] -BHT (C) [Unimod] -Delta:H(4)C(2)O(-1)S(1) (S) [Unimod] -DAET (T) [Unimod] -DAET (S) [Unimod] -Pro->Pyrrolidone (P) [Unimod] -Label:13C(9) (Y) [Unimod] -Label:13C(9) (F) [Unimod] -Label:13C(9)+Phospho (Y) [Unimod] -Label:13C(6) (I) [Unimod] -Label:13C(6) (L) [Unimod] -Label:13C(6) (K) [Unimod] -Label:13C(6) (R) [Unimod] -HPG (R) [Unimod] -2HPG (R) [Unimod] -QAT:2H(3) (C) [Unimod] -Label:18O(2) (C-term) [Unimod] -AccQTag (N-term) [Unimod] -AccQTag (K) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (K) [Unimod] -EQAT (C) [Unimod] -EQAT:2H(5) (C) [Unimod] -Ethanedithiol (T) [Unimod] -Ethanedithiol (S) [Unimod] -NEIAA:2H(5) (Y) [Unimod] -NEIAA:2H(5) (C) [Unimod] -Delta:H(6)C(6)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (H) [Unimod] -Delta:H(4)C(3)O(1) (C) [Unimod] -Delta:H(2)C(3) (K) [Unimod] -Delta:H(4)C(6) (K) [Unimod] -Delta:H(8)C(6)O(2) (K) [Unimod] -ADP-Ribosyl (E) [Unimod] -ADP-Ribosyl (S) [Unimod] -ADP-Ribosyl (N) [Unimod] -ADP-Ribosyl (C) [Unimod] -ADP-Ribosyl (R) [Unimod] -NEIAA (Y) [Unimod] -NEIAA (C) [Unimod] -iTRAQ4plex (Y) [Unimod] -iTRAQ4plex (N-term) [Unimod] -iTRAQ4plex (K) [Unimod] -Crotonaldehyde (K) [Unimod] -Crotonaldehyde (H) [Unimod] -Crotonaldehyde (C) [Unimod] -Amino (Y) [Unimod] -Argbiotinhydrazide (R) [Unimod] -Label:18O(1) (Y) [Unimod] -Label:18O(1) (T) [Unimod] -Label:18O(1) (S) [Unimod] -Label:18O(1) (C-term) [Unimod] -Label:13C(6)15N(2) (K) [Unimod] -Thiophospho (Y) [Unimod] -Thiophospho (T) [Unimod] -Thiophospho (S) [Unimod] -SPITC (K) [Unimod] -SPITC (N-term) [Unimod] -Cytopiloyne (Y) [Unimod] -Cytopiloyne (S) [Unimod] -Cytopiloyne (R) [Unimod] -Cytopiloyne (P) [Unimod] -Cytopiloyne (N-term) [Unimod] -Cytopiloyne (K) [Unimod] -Cytopiloyne (C) [Unimod] -Cytopiloyne+water (Y) [Unimod] -Cytopiloyne+water (T) [Unimod] -Cytopiloyne+water (S) [Unimod] -Cytopiloyne+water (R) [Unimod] -Cytopiloyne+water (N-term) [Unimod] -Cytopiloyne+water (K) [Unimod] -Cytopiloyne+water (C) [Unimod] -Label:13C(6)15N(4) (R) [Unimod] -Label:13C(9)15N(1) (F) [Unimod] -Label:2H(3) (L) [Unimod] -Label:13C(5)15N(1) (V) [Unimod] -PET (T) [Unimod] -PET (S) [Unimod] -CAF (N-term) [Unimod] -Xlink:SSD (K) [Unimod] -Nitrosyl (C) [Unimod] -AEBS (Y) [Unimod] -AEBS (S) [Unimod] -AEBS (N-term) [Unimod] -AEBS (K) [Unimod] -AEBS (H) [Unimod] -Ethanolyl (C) [Unimod] -HMVK (C) [Unimod] -Ethyl (N-term) [Unimod] -Ethyl (K) [Unimod] -Ethyl (E) [Unimod] -Ethyl (N-term) [Unimod] -CoenzymeA (C) [Unimod] -Methyl+Deamidated (Q) [Unimod] -Methyl+Deamidated (N) [Unimod] -Delta:H(5)C(2) (P) [Unimod] -Methyl:2H(2) (K) [Unimod] -SulfanilicAcid (E) [Unimod] -SulfanilicAcid (D) [Unimod] -SulfanilicAcid (C-term) [Unimod] -SulfanilicAcid:13C(6) (E) [Unimod] -SulfanilicAcid:13C(6) (D) [Unimod] -SulfanilicAcid:13C(6) (C-term) [Unimod] -Biotin-PEO-Amine (D) [Unimod] -Biotin-PEO-Amine (C-term) [Unimod] -Biotin-PEO-Amine (E) [Unimod] -Trp->Oxolactone (W) [Unimod] -Biotin-HPDP (C) [Unimod] -IodoU-AMP (Y) [Unimod] -IodoU-AMP (W) [Unimod] -IodoU-AMP (F) [Unimod] -CAMthiopropanoyl (N-term) [Unimod] -CAMthiopropanoyl (K) [Unimod] -IED-Biotin (C) [Unimod] -Methyl:2H(3) (E) [Unimod] -Methyl:2H(3) (D) [Unimod] -Methyl:2H(3) (C-term) [Unimod] -Carboxy (E) [Unimod] -Carboxy (D) [Unimod] -Carboxy (K) [Unimod] -Carboxy (W) [Unimod] -Carboxy (M) [Unimod] -Bromobimane (C) [Unimod] -Menadione (K) [Unimod] -Menadione (C) [Unimod] -DeStreak (C) [Unimod] -Cysteinyl (C) [Unimod] -Lys-loss (K) [Unimod] -Nmethylmaleimide (K) [Unimod] -Nmethylmaleimide (C) [Unimod] -CyDye-Cy3 (C) [Unimod] -DimethylpyrroleAdduct (K) [Unimod] -Delta:H(2)C(5) (K) [Unimod] -Delta:H(2)C(3)O(1) (K) [Unimod] -Delta:H(2)C(3)O(1) (R) [Unimod] -Nethylmaleimide+water (K) [Unimod] -Nethylmaleimide+water (C) [Unimod] -Methyl+Acetyl:2H(3) (K) [Unimod] -Xlink:B10621 (C) [Unimod] -DTBP (N-term) [Unimod] -DTBP (K) [Unimod] -DTBP (R) [Unimod] -DTBP (Q) [Unimod] -DTBP (N) [Unimod] -FP-Biotin (T) [Unimod] -FP-Biotin (Y) [Unimod] -FP-Biotin (S) [Unimod] -Thiophos-S-S-biotin (Y) [Unimod] -Thiophos-S-S-biotin (T) [Unimod] -Thiophos-S-S-biotin (S) [Unimod] -Can-FP-biotin (T) [Unimod] -Can-FP-biotin (Y) [Unimod] -Can-FP-biotin (S) [Unimod] -HNE+Delta:H(2) (K) [Unimod] -HNE+Delta:H(2) (H) [Unimod] -HNE+Delta:H(2) (C) [Unimod] -Thrbiotinhydrazide (T) [Unimod] -Methylamine (T) [Unimod] -Methylamine (S) [Unimod] -Diisopropylphosphate (Y) [Unimod] -Diisopropylphosphate (T) [Unimod] -Diisopropylphosphate (S) [Unimod] -Isopropylphospho (Y) [Unimod] -Isopropylphospho (T) [Unimod] -Isopropylphospho (S) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (K) [Unimod] -ICPL (N-term) [Unimod] -ICPL (K) [Unimod] -ICPL (N-term) [Unimod] -Deamidated:18O(1) (Q) [Unimod] -Deamidated:18O(1) (N) [Unimod] -Arg->Orn (R) [Unimod] -Dehydro (C) [Unimod] -Diphthamide (H) [Unimod] -Hydroxyfarnesyl (C) [Unimod] -Diacylglycerol (C) [Unimod] -Carboxyethyl (K) [Unimod] -Hypusine (K) [Unimod] -Retinylidene (K) [Unimod] -Lys->AminoadipicAcid (K) [Unimod] -Cys->PyruvicAcid (C) [Unimod] -Ammonia-loss (C) [Unimod] -Ammonia-loss (S) [Unimod] -Ammonia-loss (T) [Unimod] -Ammonia-loss (N) [Unimod] -Phycocyanobilin (C) [Unimod] -Phycoerythrobilin (C) [Unimod] -Phytochromobilin (C) [Unimod] -Quinone (W) [Unimod] -Quinone (Y) [Unimod] -GPIanchor (C-term) [Unimod] -PhosphoribosyldephosphoCoA (S) [Unimod] -GlycerylPE (E) [Unimod] -Triiodothyronine (Y) [Unimod] -Thyroxine (Y) [Unimod] -Tyr->Dha (Y) [Unimod] -Didehydro (S) [Unimod] -Didehydro (Y) [Unimod] -Didehydro (T) [Unimod] -Didehydro (K) [Unimod] -Cys->Oxoalanine (C) [Unimod] -Ser->LacticAcid (S) [Unimod] -GluGlu (E) [Unimod] -GluGlu (C-term) [Unimod] -Phosphoadenosine (H) [Unimod] -Phosphoadenosine (T) [Unimod] -Phosphoadenosine (K) [Unimod] -Phosphoadenosine (Y) [Unimod] -Glu (E) [Unimod] -Glu (C-term) [Unimod] -Hydroxycinnamyl (C) [Unimod] -Glycosyl (P) [Unimod] -FMNH (H) [Unimod] -FMNH (C) [Unimod] -Archaeol (C) [Unimod] -Phenylisocyanate (N-term) [Unimod] -Phenylisocyanate:2H(5) (N-term) [Unimod] -Phosphoguanosine (H) [Unimod] -Phosphoguanosine (K) [Unimod] -Hydroxymethyl (N) [Unimod] -Dipyrrolylmethanemethyl (C) [Unimod] -PhosphoUridine (H) [Unimod] -PhosphoUridine (Y) [Unimod] -Glycerophospho (S) [Unimod] -Carboxy->Thiocarboxy (G) [Unimod] -Sulfide (C) [Unimod] -PyruvicAcidIminyl (K) [Unimod] -PyruvicAcidIminyl (V) [Unimod] -PyruvicAcidIminyl (C) [Unimod] -Dioxidation (Y) [Unimod] -Dioxidation (W) [Unimod] -Dioxidation (F) [Unimod] -Dioxidation (M) [Unimod] -Dioxidation (R) [Unimod] -Dioxidation (K) [Unimod] -Dioxidation (P) [Unimod] -Dioxidation (C) [Unimod] -Octanoyl (T) [Unimod] -Octanoyl (S) [Unimod] -Palmitoleyl (C) [Unimod] -Cholesterol (C-term) [Unimod] -Didehydroretinylidene (K) [Unimod] -CHDH (D) [Unimod] -Methylpyrroline (K) [Unimod] -MicrocinC7 (C-term) [Unimod] -Cyano (C) [Unimod] -Amidino (C) [Unimod] -FMN (S) [Unimod] -FMN (T) [Unimod] -FMNC (C) [Unimod] -Hydroxytrimethyl (K) [Unimod] -Deoxy (T) [Unimod] -Deoxy (D) [Unimod] -Deoxy (S) [Unimod] -Microcin (C-term) [Unimod] -Decanoyl (T) [Unimod] -Decanoyl (S) [Unimod] -GluGluGlu (C-term) [Unimod] -GluGluGlu (E) [Unimod] -GluGluGluGlu (C-term) [Unimod] -GluGluGluGlu (E) [Unimod] -HexN (W) [Unimod] -HexN (T) [Unimod] -HexN (N) [Unimod] -HexN (K) [Unimod] -Xlink:DMP-s (N-term) [Unimod] -Xlink:DMP-s (K) [Unimod] -Xlink:DMP (N-term) [Unimod] -Xlink:DMP (K) [Unimod] -NDA (N-term) [Unimod] -NDA (K) [Unimod] -SPITC:13C(6) (N-term) [Unimod] -SPITC:13C(6) (K) [Unimod] -TMAB:2H(9) (N-term) [Unimod] -TMAB:2H(9) (K) [Unimod] -TMAB (N-term) [Unimod] -TMAB (K) [Unimod] -FTC (S) [Unimod] -FTC (R) [Unimod] -FTC (P) [Unimod] -FTC (K) [Unimod] -FTC (C) [Unimod] -AEC-MAEC (T) [Unimod] -AEC-MAEC (S) [Unimod] -BADGE (C) [Unimod] -Label:2H(4) (K) [Unimod] -CyDye-Cy5 (C) [Unimod] -DHP (C) [Unimod] -BHTOH (H) [Unimod] -BHTOH (C) [Unimod] -BHTOH (K) [Unimod] -Nmethylmaleimide+water (C) [Unimod] -PyMIC (N-term) [Unimod] -LG-lactam-K (N-term) [Unimod] -LG-lactam-K (K) [Unimod] -BisANS (K) [Unimod] -Piperidine (N-term) [Unimod] -Piperidine (K) [Unimod] -Diethyl (N-term) [Unimod] -Diethyl (K) [Unimod] -LG-Hlactam-K (N-term) [Unimod] -LG-Hlactam-K (K) [Unimod] -Dimethyl:2H(4)13C(2) (N-term) [Unimod] -Dimethyl:2H(4)13C(2) (K) [Unimod] -C8-QAT (N-term) [Unimod] -C8-QAT (K) [Unimod] -LG-lactam-R (R) [Unimod] -CLIP_TRAQ_1 (N-term) [Unimod] -CLIP_TRAQ_1 (K) [Unimod] -CLIP_TRAQ_1 (Y) [Unimod] -CLIP_TRAQ_2 (N-term) [Unimod] -CLIP_TRAQ_2 (K) [Unimod] -CLIP_TRAQ_2 (Y) [Unimod] -LG-Hlactam-R (R) [Unimod] -Maleimide-PEO2-Biotin (C) [Unimod] -Sulfo-NHS-LC-LC-Biotin (N-term) [Unimod] -Sulfo-NHS-LC-LC-Biotin (K) [Unimod] -FNEM (C) [Unimod] -PropylNAGthiazoline (C) [Unimod] -Dethiomethyl (M) [Unimod] -iTRAQ4plex114 (Y) [Unimod] -iTRAQ4plex114 (N-term) [Unimod] -iTRAQ4plex114 (K) [Unimod] -iTRAQ4plex115 (Y) [Unimod] -iTRAQ4plex115 (N-term) [Unimod] -iTRAQ4plex115 (K) [Unimod] -LeuArgGlyGly (K) [Unimod] -CLIP_TRAQ_3 (Y) [Unimod] -CLIP_TRAQ_3 (N-term) [Unimod] -CLIP_TRAQ_3 (K) [Unimod] -CLIP_TRAQ_4 (N-term) [Unimod] -CLIP_TRAQ_4 (K) [Unimod] -CLIP_TRAQ_4 (Y) [Unimod] -15dB-biotin (C) [Unimod] -PGA1-biotin (C) [Unimod] -Ala->Ser (A) [Unimod] -Ala->Thr (A) [Unimod] -Ala->Asp (A) [Unimod] -Ala->Pro (A) [Unimod] -Ala->Gly (A) [Unimod] -Ala->Glu (A) [Unimod] -Ala->Val (A) [Unimod] -Cys->Phe (C) [Unimod] -Cys->Ser (C) [Unimod] -Cys->Trp (C) [Unimod] -Cys->Tyr (C) [Unimod] -Cys->Arg (C) [Unimod] -Cys->Gly (C) [Unimod] -Asp->Ala (D) [Unimod] -Asp->His (D) [Unimod] -Asp->Asn (D) [Unimod] -Asp->Gly (D) [Unimod] -Asp->Tyr (D) [Unimod] -Asp->Glu (D) [Unimod] -Asp->Val (D) [Unimod] -Glu->Ala (E) [Unimod] -Glu->Gln (E) [Unimod] -Glu->Asp (E) [Unimod] -Glu->Lys (E) [Unimod] -Glu->Gly (E) [Unimod] -Glu->Val (E) [Unimod] -Phe->Ser (F) [Unimod] -Phe->Cys (F) [Unimod] -Phe->Ile (F) [Unimod] -Phe->Tyr (F) [Unimod] -Phe->Val (F) [Unimod] -Gly->Ala (G) [Unimod] -Gly->Ser (G) [Unimod] -Gly->Trp (G) [Unimod] -Gly->Glu (G) [Unimod] -Gly->Val (G) [Unimod] -Gly->Asp (G) [Unimod] -Gly->Cys (G) [Unimod] -Gly->Arg (G) [Unimod] -dNIC (N-term) [Unimod] -His->Pro (H) [Unimod] -His->Tyr (H) [Unimod] -His->Gln (H) [Unimod] -NIC (N-term) [Unimod] -His->Arg (H) [Unimod] -His->Leu (H) [Unimod] -Ile->Phe (I) [Unimod] -Ile->Ser (I) [Unimod] -Ile->Thr (I) [Unimod] -Ile->Asn (I) [Unimod] -Ile->Lys (I) [Unimod] -Ile->Val (I) [Unimod] -Ile->Met (I) [Unimod] -Ile->Arg (I) [Unimod] -Lys->Thr (K) [Unimod] -Lys->Asn (K) [Unimod] -Lys->Glu (K) [Unimod] -Lys->Gln (K) [Unimod] -Lys->Met (K) [Unimod] -Lys->Arg (K) [Unimod] -Lys->Ile (K) [Unimod] -Leu->Ser (L) [Unimod] -Leu->Phe (L) [Unimod] -Leu->Trp (L) [Unimod] -Leu->Pro (L) [Unimod] -Leu->Val (L) [Unimod] -Leu->His (L) [Unimod] -Leu->Gln (L) [Unimod] -Leu->Met (L) [Unimod] -Leu->Arg (L) [Unimod] -Met->Thr (M) [Unimod] -Met->Arg (M) [Unimod] -Met->Ile (M) [Unimod] -Met->Lys (M) [Unimod] -Met->Leu (M) [Unimod] -Met->Val (M) [Unimod] -Asn->Ser (N) [Unimod] -Asn->Thr (N) [Unimod] -Asn->Lys (N) [Unimod] -Asn->Tyr (N) [Unimod] -Asn->His (N) [Unimod] -Asn->Asp (N) [Unimod] -Asn->Ile (N) [Unimod] -Pro->Ser (P) [Unimod] -Pro->Ala (P) [Unimod] -Pro->His (P) [Unimod] -Pro->Gln (P) [Unimod] -Pro->Thr (P) [Unimod] -Pro->Arg (P) [Unimod] -Pro->Leu (P) [Unimod] -Gln->Pro (Q) [Unimod] -Gln->Lys (Q) [Unimod] -Gln->Glu (Q) [Unimod] -Gln->His (Q) [Unimod] -Gln->Arg (Q) [Unimod] -Gln->Leu (Q) [Unimod] -Arg->Ser (R) [Unimod] -Arg->Trp (R) [Unimod] -Arg->Thr (R) [Unimod] -Arg->Pro (R) [Unimod] -Arg->Lys (R) [Unimod] -Arg->His (R) [Unimod] -Arg->Gln (R) [Unimod] -Arg->Met (R) [Unimod] -Arg->Cys (R) [Unimod] -Arg->Ile (R) [Unimod] -Arg->Gly (R) [Unimod] -Ser->Phe (S) [Unimod] -Ser->Ala (S) [Unimod] -Ser->Trp (S) [Unimod] -Ser->Thr (S) [Unimod] -Ser->Asn (S) [Unimod] -Ser->Pro (S) [Unimod] -Ser->Tyr (S) [Unimod] -Ser->Cys (S) [Unimod] -Ser->Arg (S) [Unimod] -Ser->Ile (S) [Unimod] -Ser->Gly (S) [Unimod] -Thr->Ser (T) [Unimod] -Thr->Ala (T) [Unimod] -Thr->Asn (T) [Unimod] -Thr->Lys (T) [Unimod] -Thr->Pro (T) [Unimod] -Thr->Met (T) [Unimod] -Thr->Ile (T) [Unimod] -Thr->Arg (T) [Unimod] -Val->Phe (V) [Unimod] -Val->Ala (V) [Unimod] -Val->Glu (V) [Unimod] -Val->Met (V) [Unimod] -Val->Asp (V) [Unimod] -Val->Ile (V) [Unimod] -Val->Gly (V) [Unimod] -Trp->Ser (W) [Unimod] -Trp->Cys (W) [Unimod] -Trp->Arg (W) [Unimod] -Trp->Gly (W) [Unimod] -Trp->Leu (W) [Unimod] -Tyr->Phe (Y) [Unimod] -Tyr->Ser (Y) [Unimod] -Tyr->Asn (Y) [Unimod] -Tyr->His (Y) [Unimod] -Tyr->Asp (Y) [Unimod] -Tyr->Cys (Y) [Unimod] -NA-LNO2 (C) [Unimod] -NA-LNO2 (H) [Unimod] -NA-OA-NO2 (C) [Unimod] -NA-OA-NO2 (H) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (K) [Unimod] -iTRAQ8plex (Y) [Unimod] -iTRAQ8plex (N-term) [Unimod] -iTRAQ8plex (K) [Unimod] -Label:13C(6)15N(1) (I) [Unimod] -Label:13C(6)15N(1) (L) [Unimod] -Label:2H(9)13C(6)15N(2) (K) [Unimod] -HNE-Delta:H(2)O (K) [Unimod] -HNE-Delta:H(2)O (H) [Unimod] -HNE-Delta:H(2)O (C) [Unimod] -4-ONE (K) [Unimod] -4-ONE (H) [Unimod] -4-ONE (C) [Unimod] -O-Dimethylphosphate (Y) [Unimod] -O-Dimethylphosphate (T) [Unimod] -O-Dimethylphosphate (S) [Unimod] -O-Methylphosphate (Y) [Unimod] -O-Methylphosphate (T) [Unimod] -O-Methylphosphate (S) [Unimod] -O-Diethylphosphate (Y) [Unimod] -O-Diethylphosphate (T) [Unimod] -O-Diethylphosphate (S) [Unimod] -O-Ethylphosphate (Y) [Unimod] -O-Ethylphosphate (T) [Unimod] -O-Ethylphosphate (S) [Unimod] -O-pinacolylmethylphosphonate (Y) [Unimod] -O-pinacolylmethylphosphonate (T) [Unimod] -O-pinacolylmethylphosphonate (S) [Unimod] -Methylphosphonate (Y) [Unimod] -Methylphosphonate (T) [Unimod] -Methylphosphonate (S) [Unimod] -O-Isopropylmethylphosphonate (Y) [Unimod] -O-Isopropylmethylphosphonate (T) [Unimod] -O-Isopropylmethylphosphonate (S) [Unimod] -iTRAQ8plex:13C(6)15N(2) (Y) [Unimod] -iTRAQ8plex:13C(6)15N(2) (N-term) [Unimod] -iTRAQ8plex:13C(6)15N(2) (K) [Unimod] -DTT_ST (S) [Unimod] -DTT_ST (T) [Unimod] -Ethanolamine (D) [Unimod] -Ethanolamine (C-term) [Unimod] -Ethanolamine (E) [Unimod] -TMT6plex (K) [Unimod] -TMT6plex (N-term) [Unimod] -DTT_C (C) [Unimod] -TMT2plex (N-term) [Unimod] -TMT2plex (K) [Unimod] -TMT (N-term) [Unimod] -TMT (K) [Unimod] -ExacTagThiol (C) [Unimod] -ExacTagAmine (K) [Unimod] -NO_SMX_SEMD (C) [Unimod] -4-ONE+Delta:H(-2)O(-1) (K) [Unimod] -4-ONE+Delta:H(-2)O(-1) (H) [Unimod] -4-ONE+Delta:H(-2)O(-1) (C) [Unimod] -NO_SMX_SMCT (C) [Unimod] -NO_SMX_SIMD (C) [Unimod] -Malonyl (C) [Unimod] -Malonyl (S) [Unimod] -3sulfo (N-term) [Unimod] -trifluoro (L) [Unimod] -TNBS (N-term) [Unimod] -TNBS (K) [Unimod] -Biotin-phenacyl (C) [Unimod] -Biotin-phenacyl (H) [Unimod] -Biotin-phenacyl (S) [Unimod] -DTT_C:2H(6) (C) [Unimod] -lapachenole (C) [Unimod] -Label:13C(5) (P) [Unimod] -maleimide (K) [Unimod] -maleimide (C) [Unimod] -DTT_ST:2H(6) (T) [Unimod] -DTT_ST:2H(6) (S) [Unimod] -Met-loss (M) [Unimod] -Met-loss+Acetyl (M) [Unimod] -Menadione-HQ (K) [Unimod] -Menadione-HQ (C) [Unimod] -Carboxymethyl:13C(2) (C) [Unimod] -NEM:2H(5) (C) [Unimod] -Gly-loss+Amide (G) [Unimod] -TMPP-Ac (N-term) [Unimod] -Label:13C(6)+GlyGly (K) [Unimod] -Arg->Npo (R) [Unimod] -Label:2H(4)+Acetyl (K) [Unimod] -Pentylamine (Q) [Unimod] -PentylamineBiotin (Q) [Unimod] -Dihydroxyimidazolidine (R) [Unimod] -DFDNB (Q) [Unimod] -DFDNB (N) [Unimod] -DFDNB (R) [Unimod] -DFDNB (K) [Unimod] -Cy3b-maleimide (C) [Unimod] -AEC-MAEC:2H(4) (S) [Unimod] -AEC-MAEC:2H(4) (T) [Unimod] -BMOE (C) [Unimod] -Biotin-PEO4-hydrazide (C-term) [Unimod] -Label:13C(6)+Acetyl (K) [Unimod] -Label:13C(6)15N(2)+Acetyl (K) [Unimod] -EQIGG (K) [Unimod] -cGMP (C) [Unimod] -cGMP+RMP-loss (C) [Unimod] -Arg2PG (R) [Unimod] -Label:2H(4)+GlyGly (K) [Unimod] -Label:13C(8)15N(2) (R) [Unimod] -Label:13C(1)2H(3) (M) [Unimod] -ZGB (K) [Unimod] -ZGB (N-term) [Unimod] -MG-H1 (R) [Unimod] -G-H1 (R) [Unimod] -Label:13C(6)15N(2)+GlyGly (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -ICPL:13C(6)2H(4) (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -QQQTGG (K) [Unimod] -QEQTGG (K) [Unimod] -Bodipy (C) [Unimod] diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_mods.loc.sample --- a/maxquant_mods.loc.sample Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,396 +0,0 @@ -Oxidation (M) -Acetyl (Protein N-term) -Acetyl (K) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->CamCys -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Ala->Xle -Arg->Ala -Arg->Asn -Arg->Asp -Arg->CamCys -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->CamCys -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->CamCys -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Carbamidomethyl (C) -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Deamidation (N) -Deamidation (NQ) -Deamidation 18O (N) -Dimethyl (KR) -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->CamCys -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->pyro-Glu -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->CamCys -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->pyro-Glu -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->CamCys -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -GlyGly (K) -His->Ala -His->Arg -His->Asn -His->Asp -His->CamCys -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->CamCys -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->CamCys -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Methyl (KR) -OHexNAc -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->CamCys -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Phospho (STY) -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->CamCys -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Pro5 -Pro6 -QQTGG (K) -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->CamCys -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->CamCys -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trimethyl (K) -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->CamCys -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->CamCys -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->CamCys -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->CamCys -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_mods.loc.sample.default --- a/maxquant_mods.loc.sample.default Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,396 +0,0 @@ -Oxidation (M) -Acetyl (Protein N-term) -Acetyl (K) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->CamCys -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Ala->Xle -Arg->Ala -Arg->Asn -Arg->Asp -Arg->CamCys -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->CamCys -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->CamCys -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Carbamidomethyl (C) -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Deamidation (N) -Deamidation (NQ) -Deamidation 18O (N) -Dimethyl (KR) -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->CamCys -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->pyro-Glu -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->CamCys -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->pyro-Glu -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->CamCys -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -GlyGly (K) -His->Ala -His->Arg -His->Asn -His->Asp -His->CamCys -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->CamCys -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->CamCys -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Methyl (KR) -OHexNAc -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->CamCys -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Phospho (STY) -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->CamCys -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Pro5 -Pro6 -QQTGG (K) -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->CamCys -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->CamCys -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trimethyl (K) -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->CamCys -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->CamCys -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->CamCys -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->CamCys -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_mods.loc.sample.extended --- a/maxquant_mods.loc.sample.extended Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1308 +0,0 @@ -Acetyl (K) -Acetyl (Protein N-term) -Carbamidomethyl (C) -Oxidation (M) -Phospho (STY) -Arg6 -Arg10 -Lys4 -Lys6 -Lys8 -GlyGly (K) -Methyl (KR) -Dimethyl (KR) -Trimethyl (K) -Pro5 -Pro6 -Glu->pyro-Glu -Gln->pyro-Glu -OHexNAc -DimethLys0 -DimethNter0 -DimethLys4 -DimethNter4 -DimethLys8 -DimethNter8 -18O -ICAT-0 -ICAT-9 -ICPL-Lys0 -ICPL-Nter0 -ICPL-Lys4 -ICPL-Nter4 -ICPL-Lys6 -ICPL-Nter6 -ICPL-Lys10 -ICPL-Nter10 -mTRAQ-Lys0 -mTRAQ-Nter0 -mTRAQ-Lys4 -mTRAQ-Nter4 -mTRAQ-Lys8 -mTRAQ-Nter8 -DimethLys2 -DimethNter2 -DimethLys6 -DimethNter6 -QQTGG (K) -Deamidation (N) -Deamidation 18O (N) -iTRAQ4plex-Nter114 -iTRAQ4plex-Nter115 -iTRAQ4plex-Nter116 -iTRAQ4plex-Nter117 -iTRAQ4plex-Lys114 -iTRAQ4plex-Lys115 -iTRAQ4plex-Lys116 -iTRAQ4plex-Lys117 -iTRAQ8plex-Nter113 -iTRAQ8plex-Nter114 -iTRAQ8plex-Nter115 -iTRAQ8plex-Nter116 -iTRAQ8plex-Nter117 -iTRAQ8plex-Nter118 -iTRAQ8plex-Nter119 -iTRAQ8plex-Nter121 -iTRAQ8plex-Lys113 -iTRAQ8plex-Lys114 -iTRAQ8plex-Lys115 -iTRAQ8plex-Lys116 -iTRAQ8plex-Lys117 -iTRAQ8plex-Lys118 -iTRAQ8plex-Lys119 -iTRAQ8plex-Lys121 -TMT2plex-Nter126 -TMT2plex-Nter127 -TMT2plex-Lys126 -TMT2plex-Lys127 -TMT6plex-Nter126 -TMT6plex-Nter127 -TMT6plex-Nter128 -TMT6plex-Nter129 -TMT6plex-Nter130 -TMT6plex-Nter131 -TMT6plex-Lys126 -TMT6plex-Lys127 -TMT6plex-Lys128 -TMT6plex-Lys129 -TMT6plex-Lys130 -TMT6plex-Lys131 -Deamidation (NQ) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Xle -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Arg->Ala -Arg->Asn -Arg->Asp -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -His->Ala -His->Arg -His->Asn -His->Asp -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Ala->CamCys -Arg->CamCys -Asn->CamCys -Asp->CamCys -Gln->CamCys -Glu->CamCys -Gly->CamCys -His->CamCys -Lys->CamCys -Met->CamCys -Phe->CamCys -Pro->CamCys -Ser->CamCys -Thr->CamCys -Trp->CamCys -Tyr->CamCys -Val->CamCys -Xle->CamCys -Leu7 -Ile7 -Acetyl (T) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (S) [Unimod] -Acetyl (C) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (K) [Unimod] -Acetyl (Y) [Unimod] -Acetyl (H) [Unimod] -Amidated (C-term) [Unimod] -Amidated (C-term) [Unimod] -Biotin (N-term) [Unimod] -Biotin (K) [Unimod] -Carbamidomethyl (D) [Unimod] -Carbamidomethyl (H) [Unimod] -Carbamidomethyl (N-term) [Unimod] -Carbamidomethyl (K) [Unimod] -Carbamidomethyl (C) [Unimod] -Carbamidomethyl (E) [Unimod] -Carbamyl (C) [Unimod] -Carbamyl (R) [Unimod] -Carbamyl (N-term) [Unimod] -Carbamyl (K) [Unimod] -Carbamyl (M) [Unimod] -Carboxymethyl (N-term) [Unimod] -Carboxymethyl (K) [Unimod] -Carboxymethyl (C) [Unimod] -Carboxymethyl (W) [Unimod] -Deamidated (R) [Unimod] -Deamidated (N) [Unimod] -Deamidated (Q) [Unimod] -Deamidated (F) [Unimod] -ICAT-G (C) [Unimod] -ICAT-G:2H(8) (C) [Unimod] -Met->Hse (M) [Unimod] -Met->Hsl (M) [Unimod] -ICAT-D:2H(8) (C) [Unimod] -ICAT-D (C) [Unimod] -NIPCAM (C) [Unimod] -PEO-Iodoacetyl-LC-Biotin (C) [Unimod] -Phospho (R) [Unimod] -Phospho (C) [Unimod] -Phospho (D) [Unimod] -Phospho (Y) [Unimod] -Phospho (H) [Unimod] -Phospho (T) [Unimod] -Phospho (S) [Unimod] -Dehydrated (D) [Unimod] -Dehydrated (Y) [Unimod] -Dehydrated (T) [Unimod] -Dehydrated (S) [Unimod] -Dehydrated (N) [Unimod] -Dehydrated (Q) [Unimod] -Dehydrated (C) [Unimod] -Propionamide (C) [Unimod] -Pyridylacetyl (N-term) [Unimod] -Pyridylacetyl (K) [Unimod] -Pyro-carbamidomethyl (C) [Unimod] -Glu->pyro-Glu (E) [Unimod] -Gln->pyro-Glu (Q) [Unimod] -SMA (N-term) [Unimod] -SMA (K) [Unimod] -Pyridylethyl (C) [Unimod] -Methyl (T) [Unimod] -Methyl (S) [Unimod] -Methyl (N-term) [Unimod] -Methyl (E) [Unimod] -Methyl (D) [Unimod] -Methyl (C-term) [Unimod] -Methyl (L) [Unimod] -Methyl (I) [Unimod] -Methyl (R) [Unimod] -Methyl (N-term) [Unimod] -Methyl (Q) [Unimod] -Methyl (N) [Unimod] -Methyl (K) [Unimod] -Methyl (H) [Unimod] -Methyl (C) [Unimod] -Oxidation (W) [Unimod] -Oxidation (H) [Unimod] -Oxidation (C) [Unimod] -Oxidation (M) [Unimod] -Oxidation (R) [Unimod] -Oxidation (Y) [Unimod] -Oxidation (F) [Unimod] -Oxidation (P) [Unimod] -Oxidation (N) [Unimod] -Oxidation (K) [Unimod] -Oxidation (D) [Unimod] -Oxidation (G) [Unimod] -Dimethyl (N) [Unimod] -Dimethyl (N-term) [Unimod] -Dimethyl (R) [Unimod] -Dimethyl (K) [Unimod] -Dimethyl (P) [Unimod] -Trimethyl (A) [Unimod] -Trimethyl (R) [Unimod] -Trimethyl (K) [Unimod] -Methylthio (C) [Unimod] -Methylthio (N) [Unimod] -Methylthio (D) [Unimod] -Sulfo (Y) [Unimod] -Sulfo (T) [Unimod] -Sulfo (S) [Unimod] -Sulfo (C) [Unimod] -Lipoyl (K) [Unimod] -Farnesyl (C) [Unimod] -Myristoyl (C) [Unimod] -Myristoyl (K) [Unimod] -Myristoyl (G) [Unimod] -PyridoxalPhosphate (K) [Unimod] -Palmitoyl (T) [Unimod] -Palmitoyl (S) [Unimod] -Palmitoyl (K) [Unimod] -Palmitoyl (C) [Unimod] -Palmitoyl (N-term) [Unimod] -GeranylGeranyl (C) [Unimod] -Phosphopantetheine (S) [Unimod] -FAD (Y) [Unimod] -FAD (H) [Unimod] -FAD (C) [Unimod] -Tripalmitate (C) [Unimod] -Guanidinyl (K) [Unimod] -HNE (K) [Unimod] -HNE (H) [Unimod] -HNE (C) [Unimod] -Glucuronyl (N-term) [Unimod] -Glucuronyl (S) [Unimod] -Glutathione (C) [Unimod] -Acetyl:2H(3) (N-term) [Unimod] -Acetyl:2H(3) (K) [Unimod] -Propionyl (N-term) [Unimod] -Propionyl (K) [Unimod] -Propionyl:13C(3) (N-term) [Unimod] -Propionyl:13C(3) (K) [Unimod] -GIST-Quat (N-term) [Unimod] -GIST-Quat (K) [Unimod] -GIST-Quat:2H(3) (N-term) [Unimod] -GIST-Quat:2H(3) (K) [Unimod] -GIST-Quat:2H(6) (N-term) [Unimod] -GIST-Quat:2H(6) (K) [Unimod] -GIST-Quat:2H(9) (N-term) [Unimod] -GIST-Quat:2H(9) (K) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (K) [Unimod] -Succinyl:2H(4) (N-term) [Unimod] -Succinyl:2H(4) (K) [Unimod] -Succinyl:13C(4) (N-term) [Unimod] -Succinyl:13C(4) (K) [Unimod] -probiotinhydrazide (P) [Unimod] -Pro->pyro-Glu (P) [Unimod] -His->Asn (H) [Unimod] -His->Asp (H) [Unimod] -Trp->Hydroxykynurenin (W) [Unimod] -Delta:H(4)C(3) (K) [Unimod] -Delta:H(4)C(3) (H) [Unimod] -Delta:H(4)C(2) (K) [Unimod] -Delta:H(4)C(2) (H) [Unimod] -Cys->Dha (C) [Unimod] -Arg->GluSA (R) [Unimod] -Trioxidation (C) [Unimod] -Iminobiotin (N-term) [Unimod] -Iminobiotin (K) [Unimod] -ESP (N-term) [Unimod] -ESP (K) [Unimod] -ESP:2H(10) (N-term) [Unimod] -ESP:2H(10) (K) [Unimod] -NHS-LC-Biotin (N-term) [Unimod] -NHS-LC-Biotin (K) [Unimod] -EDT-maleimide-PEO-biotin (T) [Unimod] -EDT-maleimide-PEO-biotin (S) [Unimod] -IMID (K) [Unimod] -IMID:2H(4) (K) [Unimod] -Lysbiotinhydrazide (K) [Unimod] -Propionamide:2H(3) (C) [Unimod] -Nitro (Y) [Unimod] -Nitro (W) [Unimod] -ICAT-C (C) [Unimod] -Delta:H(2)C(2) (K) [Unimod] -Delta:H(2)C(2) (H) [Unimod] -Trp->Kynurenin (W) [Unimod] -Lys->Allysine (K) [Unimod] -ICAT-C:13C(9) (C) [Unimod] -FormylMet (N-term) [Unimod] -Nethylmaleimide (C) [Unimod] -OxLysBiotinRed (K) [Unimod] -IBTP (C) [Unimod] -OxLysBiotin (K) [Unimod] -OxProBiotinRed (P) [Unimod] -OxProBiotin (P) [Unimod] -OxArgBiotin (R) [Unimod] -OxArgBiotinRed (R) [Unimod] -EDT-iodoacetyl-PEO-biotin (T) [Unimod] -EDT-iodoacetyl-PEO-biotin (S) [Unimod] -GlyGly (T) [Unimod] -GlyGly (S) [Unimod] -GlyGly (C) [Unimod] -GlyGly (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (T) [Unimod] -Formyl (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (S) [Unimod] -Cation:K (C-term) [Unimod] -Cation:K (E) [Unimod] -Cation:K (D) [Unimod] -Thioacyl (N-term) [Unimod] -Thioacyl (K) [Unimod] -Fluoro (W) [Unimod] -Fluoro (F) [Unimod] -Fluoro (Y) [Unimod] -Fluorescein (C) [Unimod] -Iodo (H) [Unimod] -Iodo (Y) [Unimod] -Diiodo (Y) [Unimod] -Triiodo (Y) [Unimod] -Myristoleyl (G) [Unimod] -Pro->Pyrrolidinone (P) [Unimod] -Myristoyl+Delta:H(-4) (G) [Unimod] -Benzoyl (N-term) [Unimod] -Benzoyl (K) [Unimod] -Dansyl (N-term) [Unimod] -Dansyl (K) [Unimod] -a-type-ion (C-term) [Unimod] -Amidine (N-term) [Unimod] -Amidine (K) [Unimod] -NBS:13C(6) (W) [Unimod] -Methyl:2H(3)13C(1) (R) [Unimod] -Dimethyl:2H(6)13C(2) (R) [Unimod] -NBS (W) [Unimod] -Delta:H(1)O(-1)18O(1) (N) [Unimod] -QAT (C) [Unimod] -BHT (H) [Unimod] -BHT (K) [Unimod] -BHT (C) [Unimod] -Delta:H(4)C(2)O(-1)S(1) (S) [Unimod] -DAET (T) [Unimod] -DAET (S) [Unimod] -Pro->Pyrrolidone (P) [Unimod] -Label:13C(9) (Y) [Unimod] -Label:13C(9) (F) [Unimod] -Label:13C(9)+Phospho (Y) [Unimod] -Label:13C(6) (I) [Unimod] -Label:13C(6) (L) [Unimod] -Label:13C(6) (K) [Unimod] -Label:13C(6) (R) [Unimod] -HPG (R) [Unimod] -2HPG (R) [Unimod] -QAT:2H(3) (C) [Unimod] -Label:18O(2) (C-term) [Unimod] -AccQTag (N-term) [Unimod] -AccQTag (K) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (K) [Unimod] -EQAT (C) [Unimod] -EQAT:2H(5) (C) [Unimod] -Ethanedithiol (T) [Unimod] -Ethanedithiol (S) [Unimod] -NEIAA:2H(5) (Y) [Unimod] -NEIAA:2H(5) (C) [Unimod] -Delta:H(6)C(6)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (H) [Unimod] -Delta:H(4)C(3)O(1) (C) [Unimod] -Delta:H(2)C(3) (K) [Unimod] -Delta:H(4)C(6) (K) [Unimod] -Delta:H(8)C(6)O(2) (K) [Unimod] -ADP-Ribosyl (E) [Unimod] -ADP-Ribosyl (S) [Unimod] -ADP-Ribosyl (N) [Unimod] -ADP-Ribosyl (C) [Unimod] -ADP-Ribosyl (R) [Unimod] -NEIAA (Y) [Unimod] -NEIAA (C) [Unimod] -iTRAQ4plex (Y) [Unimod] -iTRAQ4plex (N-term) [Unimod] -iTRAQ4plex (K) [Unimod] -Crotonaldehyde (K) [Unimod] -Crotonaldehyde (H) [Unimod] -Crotonaldehyde (C) [Unimod] -Amino (Y) [Unimod] -Argbiotinhydrazide (R) [Unimod] -Label:18O(1) (Y) [Unimod] -Label:18O(1) (T) [Unimod] -Label:18O(1) (S) [Unimod] -Label:18O(1) (C-term) [Unimod] -Label:13C(6)15N(2) (K) [Unimod] -Thiophospho (Y) [Unimod] -Thiophospho (T) [Unimod] -Thiophospho (S) [Unimod] -SPITC (K) [Unimod] -SPITC (N-term) [Unimod] -Cytopiloyne (Y) [Unimod] -Cytopiloyne (S) [Unimod] -Cytopiloyne (R) [Unimod] -Cytopiloyne (P) [Unimod] -Cytopiloyne (N-term) [Unimod] -Cytopiloyne (K) [Unimod] -Cytopiloyne (C) [Unimod] -Cytopiloyne+water (Y) [Unimod] -Cytopiloyne+water (T) [Unimod] -Cytopiloyne+water (S) [Unimod] -Cytopiloyne+water (R) [Unimod] -Cytopiloyne+water (N-term) [Unimod] -Cytopiloyne+water (K) [Unimod] -Cytopiloyne+water (C) [Unimod] -Label:13C(6)15N(4) (R) [Unimod] -Label:13C(9)15N(1) (F) [Unimod] -Label:2H(3) (L) [Unimod] -Label:13C(5)15N(1) (V) [Unimod] -PET (T) [Unimod] -PET (S) [Unimod] -CAF (N-term) [Unimod] -Xlink:SSD (K) [Unimod] -Nitrosyl (C) [Unimod] -AEBS (Y) [Unimod] -AEBS (S) [Unimod] -AEBS (N-term) [Unimod] -AEBS (K) [Unimod] -AEBS (H) [Unimod] -Ethanolyl (C) [Unimod] -HMVK (C) [Unimod] -Ethyl (N-term) [Unimod] -Ethyl (K) [Unimod] -Ethyl (E) [Unimod] -Ethyl (N-term) [Unimod] -CoenzymeA (C) [Unimod] -Methyl+Deamidated (Q) [Unimod] -Methyl+Deamidated (N) [Unimod] -Delta:H(5)C(2) (P) [Unimod] -Methyl:2H(2) (K) [Unimod] -SulfanilicAcid (E) [Unimod] -SulfanilicAcid (D) [Unimod] -SulfanilicAcid (C-term) [Unimod] -SulfanilicAcid:13C(6) (E) [Unimod] -SulfanilicAcid:13C(6) (D) [Unimod] -SulfanilicAcid:13C(6) (C-term) [Unimod] -Biotin-PEO-Amine (D) [Unimod] -Biotin-PEO-Amine (C-term) [Unimod] -Biotin-PEO-Amine (E) [Unimod] -Trp->Oxolactone (W) [Unimod] -Biotin-HPDP (C) [Unimod] -IodoU-AMP (Y) [Unimod] -IodoU-AMP (W) [Unimod] -IodoU-AMP (F) [Unimod] -CAMthiopropanoyl (N-term) [Unimod] -CAMthiopropanoyl (K) [Unimod] -IED-Biotin (C) [Unimod] -Methyl:2H(3) (E) [Unimod] -Methyl:2H(3) (D) [Unimod] -Methyl:2H(3) (C-term) [Unimod] -Carboxy (E) [Unimod] -Carboxy (D) [Unimod] -Carboxy (K) [Unimod] -Carboxy (W) [Unimod] -Carboxy (M) [Unimod] -Bromobimane (C) [Unimod] -Menadione (K) [Unimod] -Menadione (C) [Unimod] -DeStreak (C) [Unimod] -Cysteinyl (C) [Unimod] -Lys-loss (K) [Unimod] -Nmethylmaleimide (K) [Unimod] -Nmethylmaleimide (C) [Unimod] -CyDye-Cy3 (C) [Unimod] -DimethylpyrroleAdduct (K) [Unimod] -Delta:H(2)C(5) (K) [Unimod] -Delta:H(2)C(3)O(1) (K) [Unimod] -Delta:H(2)C(3)O(1) (R) [Unimod] -Nethylmaleimide+water (K) [Unimod] -Nethylmaleimide+water (C) [Unimod] -Methyl+Acetyl:2H(3) (K) [Unimod] -Xlink:B10621 (C) [Unimod] -DTBP (N-term) [Unimod] -DTBP (K) [Unimod] -DTBP (R) [Unimod] -DTBP (Q) [Unimod] -DTBP (N) [Unimod] -FP-Biotin (T) [Unimod] -FP-Biotin (Y) [Unimod] -FP-Biotin (S) [Unimod] -Thiophos-S-S-biotin (Y) [Unimod] -Thiophos-S-S-biotin (T) [Unimod] -Thiophos-S-S-biotin (S) [Unimod] -Can-FP-biotin (T) [Unimod] -Can-FP-biotin (Y) [Unimod] -Can-FP-biotin (S) [Unimod] -HNE+Delta:H(2) (K) [Unimod] -HNE+Delta:H(2) (H) [Unimod] -HNE+Delta:H(2) (C) [Unimod] -Thrbiotinhydrazide (T) [Unimod] -Methylamine (T) [Unimod] -Methylamine (S) [Unimod] -Diisopropylphosphate (Y) [Unimod] -Diisopropylphosphate (T) [Unimod] -Diisopropylphosphate (S) [Unimod] -Isopropylphospho (Y) [Unimod] -Isopropylphospho (T) [Unimod] -Isopropylphospho (S) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (K) [Unimod] -ICPL (N-term) [Unimod] -ICPL (K) [Unimod] -ICPL (N-term) [Unimod] -Deamidated:18O(1) (Q) [Unimod] -Deamidated:18O(1) (N) [Unimod] -Arg->Orn (R) [Unimod] -Dehydro (C) [Unimod] -Diphthamide (H) [Unimod] -Hydroxyfarnesyl (C) [Unimod] -Diacylglycerol (C) [Unimod] -Carboxyethyl (K) [Unimod] -Hypusine (K) [Unimod] -Retinylidene (K) [Unimod] -Lys->AminoadipicAcid (K) [Unimod] -Cys->PyruvicAcid (C) [Unimod] -Ammonia-loss (C) [Unimod] -Ammonia-loss (S) [Unimod] -Ammonia-loss (T) [Unimod] -Ammonia-loss (N) [Unimod] -Phycocyanobilin (C) [Unimod] -Phycoerythrobilin (C) [Unimod] -Phytochromobilin (C) [Unimod] -Quinone (W) [Unimod] -Quinone (Y) [Unimod] -GPIanchor (C-term) [Unimod] -PhosphoribosyldephosphoCoA (S) [Unimod] -GlycerylPE (E) [Unimod] -Triiodothyronine (Y) [Unimod] -Thyroxine (Y) [Unimod] -Tyr->Dha (Y) [Unimod] -Didehydro (S) [Unimod] -Didehydro (Y) [Unimod] -Didehydro (T) [Unimod] -Didehydro (K) [Unimod] -Cys->Oxoalanine (C) [Unimod] -Ser->LacticAcid (S) [Unimod] -GluGlu (E) [Unimod] -GluGlu (C-term) [Unimod] -Phosphoadenosine (H) [Unimod] -Phosphoadenosine (T) [Unimod] -Phosphoadenosine (K) [Unimod] -Phosphoadenosine (Y) [Unimod] -Glu (E) [Unimod] -Glu (C-term) [Unimod] -Hydroxycinnamyl (C) [Unimod] -Glycosyl (P) [Unimod] -FMNH (H) [Unimod] -FMNH (C) [Unimod] -Archaeol (C) [Unimod] -Phenylisocyanate (N-term) [Unimod] -Phenylisocyanate:2H(5) (N-term) [Unimod] -Phosphoguanosine (H) [Unimod] -Phosphoguanosine (K) [Unimod] -Hydroxymethyl (N) [Unimod] -Dipyrrolylmethanemethyl (C) [Unimod] -PhosphoUridine (H) [Unimod] -PhosphoUridine (Y) [Unimod] -Glycerophospho (S) [Unimod] -Carboxy->Thiocarboxy (G) [Unimod] -Sulfide (C) [Unimod] -PyruvicAcidIminyl (K) [Unimod] -PyruvicAcidIminyl (V) [Unimod] -PyruvicAcidIminyl (C) [Unimod] -Dioxidation (Y) [Unimod] -Dioxidation (W) [Unimod] -Dioxidation (F) [Unimod] -Dioxidation (M) [Unimod] -Dioxidation (R) [Unimod] -Dioxidation (K) [Unimod] -Dioxidation (P) [Unimod] -Dioxidation (C) [Unimod] -Octanoyl (T) [Unimod] -Octanoyl (S) [Unimod] -Palmitoleyl (C) [Unimod] -Cholesterol (C-term) [Unimod] -Didehydroretinylidene (K) [Unimod] -CHDH (D) [Unimod] -Methylpyrroline (K) [Unimod] -MicrocinC7 (C-term) [Unimod] -Cyano (C) [Unimod] -Amidino (C) [Unimod] -FMN (S) [Unimod] -FMN (T) [Unimod] -FMNC (C) [Unimod] -Hydroxytrimethyl (K) [Unimod] -Deoxy (T) [Unimod] -Deoxy (D) [Unimod] -Deoxy (S) [Unimod] -Microcin (C-term) [Unimod] -Decanoyl (T) [Unimod] -Decanoyl (S) [Unimod] -GluGluGlu (C-term) [Unimod] -GluGluGlu (E) [Unimod] -GluGluGluGlu (C-term) [Unimod] -GluGluGluGlu (E) [Unimod] -HexN (W) [Unimod] -HexN (T) [Unimod] -HexN (N) [Unimod] -HexN (K) [Unimod] -Xlink:DMP-s (N-term) [Unimod] -Xlink:DMP-s (K) [Unimod] -Xlink:DMP (N-term) [Unimod] -Xlink:DMP (K) [Unimod] -NDA (N-term) [Unimod] -NDA (K) [Unimod] -SPITC:13C(6) (N-term) [Unimod] -SPITC:13C(6) (K) [Unimod] -TMAB:2H(9) (N-term) [Unimod] -TMAB:2H(9) (K) [Unimod] -TMAB (N-term) [Unimod] -TMAB (K) [Unimod] -FTC (S) [Unimod] -FTC (R) [Unimod] -FTC (P) [Unimod] -FTC (K) [Unimod] -FTC (C) [Unimod] -AEC-MAEC (T) [Unimod] -AEC-MAEC (S) [Unimod] -BADGE (C) [Unimod] -Label:2H(4) (K) [Unimod] -CyDye-Cy5 (C) [Unimod] -DHP (C) [Unimod] -BHTOH (H) [Unimod] -BHTOH (C) [Unimod] -BHTOH (K) [Unimod] -Nmethylmaleimide+water (C) [Unimod] -PyMIC (N-term) [Unimod] -LG-lactam-K (N-term) [Unimod] -LG-lactam-K (K) [Unimod] -BisANS (K) [Unimod] -Piperidine (N-term) [Unimod] -Piperidine (K) [Unimod] -Diethyl (N-term) [Unimod] -Diethyl (K) [Unimod] -LG-Hlactam-K (N-term) [Unimod] -LG-Hlactam-K (K) [Unimod] -Dimethyl:2H(4)13C(2) (N-term) [Unimod] -Dimethyl:2H(4)13C(2) (K) [Unimod] -C8-QAT (N-term) [Unimod] -C8-QAT (K) [Unimod] -LG-lactam-R (R) [Unimod] -CLIP_TRAQ_1 (N-term) [Unimod] -CLIP_TRAQ_1 (K) [Unimod] -CLIP_TRAQ_1 (Y) [Unimod] -CLIP_TRAQ_2 (N-term) [Unimod] -CLIP_TRAQ_2 (K) [Unimod] -CLIP_TRAQ_2 (Y) [Unimod] -LG-Hlactam-R (R) [Unimod] -Maleimide-PEO2-Biotin (C) [Unimod] -Sulfo-NHS-LC-LC-Biotin (N-term) [Unimod] -Sulfo-NHS-LC-LC-Biotin (K) [Unimod] -FNEM (C) [Unimod] -PropylNAGthiazoline (C) [Unimod] -Dethiomethyl (M) [Unimod] -iTRAQ4plex114 (Y) [Unimod] -iTRAQ4plex114 (N-term) [Unimod] -iTRAQ4plex114 (K) [Unimod] -iTRAQ4plex115 (Y) [Unimod] -iTRAQ4plex115 (N-term) [Unimod] -iTRAQ4plex115 (K) [Unimod] -LeuArgGlyGly (K) [Unimod] -CLIP_TRAQ_3 (Y) [Unimod] -CLIP_TRAQ_3 (N-term) [Unimod] -CLIP_TRAQ_3 (K) [Unimod] -CLIP_TRAQ_4 (N-term) [Unimod] -CLIP_TRAQ_4 (K) [Unimod] -CLIP_TRAQ_4 (Y) [Unimod] -15dB-biotin (C) [Unimod] -PGA1-biotin (C) [Unimod] -Ala->Ser (A) [Unimod] -Ala->Thr (A) [Unimod] -Ala->Asp (A) [Unimod] -Ala->Pro (A) [Unimod] -Ala->Gly (A) [Unimod] -Ala->Glu (A) [Unimod] -Ala->Val (A) [Unimod] -Cys->Phe (C) [Unimod] -Cys->Ser (C) [Unimod] -Cys->Trp (C) [Unimod] -Cys->Tyr (C) [Unimod] -Cys->Arg (C) [Unimod] -Cys->Gly (C) [Unimod] -Asp->Ala (D) [Unimod] -Asp->His (D) [Unimod] -Asp->Asn (D) [Unimod] -Asp->Gly (D) [Unimod] -Asp->Tyr (D) [Unimod] -Asp->Glu (D) [Unimod] -Asp->Val (D) [Unimod] -Glu->Ala (E) [Unimod] -Glu->Gln (E) [Unimod] -Glu->Asp (E) [Unimod] -Glu->Lys (E) [Unimod] -Glu->Gly (E) [Unimod] -Glu->Val (E) [Unimod] -Phe->Ser (F) [Unimod] -Phe->Cys (F) [Unimod] -Phe->Ile (F) [Unimod] -Phe->Tyr (F) [Unimod] -Phe->Val (F) [Unimod] -Gly->Ala (G) [Unimod] -Gly->Ser (G) [Unimod] -Gly->Trp (G) [Unimod] -Gly->Glu (G) [Unimod] -Gly->Val (G) [Unimod] -Gly->Asp (G) [Unimod] -Gly->Cys (G) [Unimod] -Gly->Arg (G) [Unimod] -dNIC (N-term) [Unimod] -His->Pro (H) [Unimod] -His->Tyr (H) [Unimod] -His->Gln (H) [Unimod] -NIC (N-term) [Unimod] -His->Arg (H) [Unimod] -His->Leu (H) [Unimod] -Ile->Phe (I) [Unimod] -Ile->Ser (I) [Unimod] -Ile->Thr (I) [Unimod] -Ile->Asn (I) [Unimod] -Ile->Lys (I) [Unimod] -Ile->Val (I) [Unimod] -Ile->Met (I) [Unimod] -Ile->Arg (I) [Unimod] -Lys->Thr (K) [Unimod] -Lys->Asn (K) [Unimod] -Lys->Glu (K) [Unimod] -Lys->Gln (K) [Unimod] -Lys->Met (K) [Unimod] -Lys->Arg (K) [Unimod] -Lys->Ile (K) [Unimod] -Leu->Ser (L) [Unimod] -Leu->Phe (L) [Unimod] -Leu->Trp (L) [Unimod] -Leu->Pro (L) [Unimod] -Leu->Val (L) [Unimod] -Leu->His (L) [Unimod] -Leu->Gln (L) [Unimod] -Leu->Met (L) [Unimod] -Leu->Arg (L) [Unimod] -Met->Thr (M) [Unimod] -Met->Arg (M) [Unimod] -Met->Ile (M) [Unimod] -Met->Lys (M) [Unimod] -Met->Leu (M) [Unimod] -Met->Val (M) [Unimod] -Asn->Ser (N) [Unimod] -Asn->Thr (N) [Unimod] -Asn->Lys (N) [Unimod] -Asn->Tyr (N) [Unimod] -Asn->His (N) [Unimod] -Asn->Asp (N) [Unimod] -Asn->Ile (N) [Unimod] -Pro->Ser (P) [Unimod] -Pro->Ala (P) [Unimod] -Pro->His (P) [Unimod] -Pro->Gln (P) [Unimod] -Pro->Thr (P) [Unimod] -Pro->Arg (P) [Unimod] -Pro->Leu (P) [Unimod] -Gln->Pro (Q) [Unimod] -Gln->Lys (Q) [Unimod] -Gln->Glu (Q) [Unimod] -Gln->His (Q) [Unimod] -Gln->Arg (Q) [Unimod] -Gln->Leu (Q) [Unimod] -Arg->Ser (R) [Unimod] -Arg->Trp (R) [Unimod] -Arg->Thr (R) [Unimod] -Arg->Pro (R) [Unimod] -Arg->Lys (R) [Unimod] -Arg->His (R) [Unimod] -Arg->Gln (R) [Unimod] -Arg->Met (R) [Unimod] -Arg->Cys (R) [Unimod] -Arg->Ile (R) [Unimod] -Arg->Gly (R) [Unimod] -Ser->Phe (S) [Unimod] -Ser->Ala (S) [Unimod] -Ser->Trp (S) [Unimod] -Ser->Thr (S) [Unimod] -Ser->Asn (S) [Unimod] -Ser->Pro (S) [Unimod] -Ser->Tyr (S) [Unimod] -Ser->Cys (S) [Unimod] -Ser->Arg (S) [Unimod] -Ser->Ile (S) [Unimod] -Ser->Gly (S) [Unimod] -Thr->Ser (T) [Unimod] -Thr->Ala (T) [Unimod] -Thr->Asn (T) [Unimod] -Thr->Lys (T) [Unimod] -Thr->Pro (T) [Unimod] -Thr->Met (T) [Unimod] -Thr->Ile (T) [Unimod] -Thr->Arg (T) [Unimod] -Val->Phe (V) [Unimod] -Val->Ala (V) [Unimod] -Val->Glu (V) [Unimod] -Val->Met (V) [Unimod] -Val->Asp (V) [Unimod] -Val->Ile (V) [Unimod] -Val->Gly (V) [Unimod] -Trp->Ser (W) [Unimod] -Trp->Cys (W) [Unimod] -Trp->Arg (W) [Unimod] -Trp->Gly (W) [Unimod] -Trp->Leu (W) [Unimod] -Tyr->Phe (Y) [Unimod] -Tyr->Ser (Y) [Unimod] -Tyr->Asn (Y) [Unimod] -Tyr->His (Y) [Unimod] -Tyr->Asp (Y) [Unimod] -Tyr->Cys (Y) [Unimod] -NA-LNO2 (C) [Unimod] -NA-LNO2 (H) [Unimod] -NA-OA-NO2 (C) [Unimod] -NA-OA-NO2 (H) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (K) [Unimod] -iTRAQ8plex (Y) [Unimod] -iTRAQ8plex (N-term) [Unimod] -iTRAQ8plex (K) [Unimod] -Label:13C(6)15N(1) (I) [Unimod] -Label:13C(6)15N(1) (L) [Unimod] -Label:2H(9)13C(6)15N(2) (K) [Unimod] -HNE-Delta:H(2)O (K) [Unimod] -HNE-Delta:H(2)O (H) [Unimod] -HNE-Delta:H(2)O (C) [Unimod] -4-ONE (K) [Unimod] -4-ONE (H) [Unimod] -4-ONE (C) [Unimod] -O-Dimethylphosphate (Y) [Unimod] -O-Dimethylphosphate (T) [Unimod] -O-Dimethylphosphate (S) [Unimod] -O-Methylphosphate (Y) [Unimod] -O-Methylphosphate (T) [Unimod] -O-Methylphosphate (S) [Unimod] -O-Diethylphosphate (Y) [Unimod] -O-Diethylphosphate (T) [Unimod] -O-Diethylphosphate (S) [Unimod] -O-Ethylphosphate (Y) [Unimod] -O-Ethylphosphate (T) [Unimod] -O-Ethylphosphate (S) [Unimod] -O-pinacolylmethylphosphonate (Y) [Unimod] -O-pinacolylmethylphosphonate (T) [Unimod] -O-pinacolylmethylphosphonate (S) [Unimod] -Methylphosphonate (Y) [Unimod] -Methylphosphonate (T) [Unimod] -Methylphosphonate (S) [Unimod] -O-Isopropylmethylphosphonate (Y) [Unimod] -O-Isopropylmethylphosphonate (T) [Unimod] -O-Isopropylmethylphosphonate (S) [Unimod] -iTRAQ8plex:13C(6)15N(2) (Y) [Unimod] -iTRAQ8plex:13C(6)15N(2) (N-term) [Unimod] -iTRAQ8plex:13C(6)15N(2) (K) [Unimod] -DTT_ST (S) [Unimod] -DTT_ST (T) [Unimod] -Ethanolamine (D) [Unimod] -Ethanolamine (C-term) [Unimod] -Ethanolamine (E) [Unimod] -TMT6plex (K) [Unimod] -TMT6plex (N-term) [Unimod] -DTT_C (C) [Unimod] -TMT2plex (N-term) [Unimod] -TMT2plex (K) [Unimod] -TMT (N-term) [Unimod] -TMT (K) [Unimod] -ExacTagThiol (C) [Unimod] -ExacTagAmine (K) [Unimod] -NO_SMX_SEMD (C) [Unimod] -4-ONE+Delta:H(-2)O(-1) (K) [Unimod] -4-ONE+Delta:H(-2)O(-1) (H) [Unimod] -4-ONE+Delta:H(-2)O(-1) (C) [Unimod] -NO_SMX_SMCT (C) [Unimod] -NO_SMX_SIMD (C) [Unimod] -Malonyl (C) [Unimod] -Malonyl (S) [Unimod] -3sulfo (N-term) [Unimod] -trifluoro (L) [Unimod] -TNBS (N-term) [Unimod] -TNBS (K) [Unimod] -Biotin-phenacyl (C) [Unimod] -Biotin-phenacyl (H) [Unimod] -Biotin-phenacyl (S) [Unimod] -DTT_C:2H(6) (C) [Unimod] -lapachenole (C) [Unimod] -Label:13C(5) (P) [Unimod] -maleimide (K) [Unimod] -maleimide (C) [Unimod] -DTT_ST:2H(6) (T) [Unimod] -DTT_ST:2H(6) (S) [Unimod] -Met-loss (M) [Unimod] -Met-loss+Acetyl (M) [Unimod] -Menadione-HQ (K) [Unimod] -Menadione-HQ (C) [Unimod] -Carboxymethyl:13C(2) (C) [Unimod] -NEM:2H(5) (C) [Unimod] -Gly-loss+Amide (G) [Unimod] -TMPP-Ac (N-term) [Unimod] -Label:13C(6)+GlyGly (K) [Unimod] -Arg->Npo (R) [Unimod] -Label:2H(4)+Acetyl (K) [Unimod] -Pentylamine (Q) [Unimod] -PentylamineBiotin (Q) [Unimod] -Dihydroxyimidazolidine (R) [Unimod] -DFDNB (Q) [Unimod] -DFDNB (N) [Unimod] -DFDNB (R) [Unimod] -DFDNB (K) [Unimod] -Cy3b-maleimide (C) [Unimod] -AEC-MAEC:2H(4) (S) [Unimod] -AEC-MAEC:2H(4) (T) [Unimod] -BMOE (C) [Unimod] -Biotin-PEO4-hydrazide (C-term) [Unimod] -Label:13C(6)+Acetyl (K) [Unimod] -Label:13C(6)15N(2)+Acetyl (K) [Unimod] -EQIGG (K) [Unimod] -cGMP (C) [Unimod] -cGMP+RMP-loss (C) [Unimod] -Arg2PG (R) [Unimod] -Label:2H(4)+GlyGly (K) [Unimod] -Label:13C(8)15N(2) (R) [Unimod] -Label:13C(1)2H(3) (M) [Unimod] -ZGB (K) [Unimod] -ZGB (N-term) [Unimod] -MG-H1 (R) [Unimod] -G-H1 (R) [Unimod] -Label:13C(6)15N(2)+GlyGly (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -ICPL:13C(6)2H(4) (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -QQQTGG (K) [Unimod] -QEQTGG (K) [Unimod] -Bodipy (C) [Unimod] diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_proteases.loc --- a/maxquant_proteases.loc Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,27 +0,0 @@ -Trypsin -Arg-C -Asp-N -Asp-N_ambic -Chymotrypsin -CNBr -CNBr+Trypsin -Formic_acid -Lys-C -Lys-C/P -PepsinA -Tryp-CNBr -TrypChymo -Trypsin/P -Trypsin/P+DP -V8-DE -V8-E -semiTrypsin -LysC+AspN -Lys-C/P+DP -Trypsin/P + Asp-N -Asp-C -Trypsin/P+Asp-C -SemiLys -SemiGluC -LysC/P+AspC -GluC diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_proteases.loc.sample --- a/maxquant_proteases.loc.sample Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,27 +0,0 @@ -Trypsin -Arg-C -Asp-N -Asp-N_ambic -Chymotrypsin -CNBr -CNBr+Trypsin -Formic_acid -Lys-C -Lys-C/P -PepsinA -Tryp-CNBr -TrypChymo -Trypsin/P -Trypsin/P+DP -V8-DE -V8-E -semiTrypsin -LysC+AspN -Lys-C/P+DP -Trypsin/P + Asp-N -Asp-C -Trypsin/P+Asp-C -SemiLys -SemiGluC -LysC/P+AspC -GluC diff -r d4b6c9eae635 -r 8bac3cc5c5de maxquant_wrapper.py --- a/maxquant_wrapper.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,787 +0,0 @@ -#!/usr/bin/env python -import optparse -import os -import shutil -import sys -import tempfile -import subprocess -import logging -from string import Template -from xml.sax.saxutils import escape -import xml.etree.ElementTree as ET - -log = logging.getLogger(__name__) - -DEBUG = True - -working_directory = os.getcwd() -tmp_stderr_name = tempfile.NamedTemporaryFile(dir=working_directory, suffix='.stderr').name -tmp_stdout_name = tempfile.NamedTemporaryFile(dir=working_directory, suffix='.stdout').name - - -def stop_err(msg): - sys.stderr.write("%s\n" % msg) - sys.exit() - - -def read_stderr(): - stderr = '' - if(os.path.exists(tmp_stderr_name)): - with open(tmp_stderr_name, 'rb') as tmp_stderr: - buffsize = 1048576 - try: - while True: - stderr += tmp_stderr.read(buffsize) - if not stderr or len(stderr) % buffsize != 0: - break - except OverflowError: - pass - return stderr - - -def execute(command, stdin=None): - try: - with open(tmp_stderr_name, 'wb') as tmp_stderr: - with open(tmp_stdout_name, 'wb') as tmp_stdout: - proc = subprocess.Popen(args=command, shell=True, stderr=tmp_stderr.fileno(), stdout=tmp_stdout.fileno(), stdin=stdin, env=os.environ) - returncode = proc.wait() - if returncode != 0: - raise Exception("Program returned with non-zero exit code %d. stderr: %s" % (returncode, read_stderr())) - finally: - print open(tmp_stderr_name, "r").read(64000) - print open(tmp_stdout_name, "r").read(64000) - - -def delete_file(path): - if os.path.exists(path): - try: - os.remove(path) - except: - pass - - -def delete_directory(directory): - if os.path.exists(directory): - try: - shutil.rmtree(directory) - except: - pass - - -def symlink(source, link_name): - import platform - if platform.system() == 'Windows': - try: - import win32file - win32file.CreateSymbolicLink(source, link_name, 1) - except: - shutil.copy(source, link_name) - else: - os.symlink(source, link_name) - - -def copy_to_working_directory(data_file, relative_path): - if os.path.abspath(data_file) != os.path.abspath(relative_path): - shutil.copy(data_file, relative_path) - return relative_path - - -def __main__(): - run_script() - - -## Lock File Stuff -## http://www.evanfosmark.com/2009/01/cross-platform-file-locking-support-in-python/ -import os -import time -import errno - - -class FileLockException(Exception): - pass - - -class FileLock(object): - """ A file locking mechanism that has context-manager support so - you can use it in a with statement. This should be relatively cross - compatible as it doesn't rely on msvcrt or fcntl for the locking. - """ - - def __init__(self, file_name, timeout=10, delay=.05): - """ Prepare the file locker. Specify the file to lock and optionally - the maximum timeout and the delay between each attempt to lock. - """ - self.is_locked = False - self.lockfile = os.path.join(os.getcwd(), "%s.lock" % file_name) - self.file_name = file_name - self.timeout = timeout - self.delay = delay - - def acquire(self): - """ Acquire the lock, if possible. If the lock is in use, it check again - every `wait` seconds. It does this until it either gets the lock or - exceeds `timeout` number of seconds, in which case it throws - an exception. - """ - start_time = time.time() - while True: - try: - self.fd = os.open(self.lockfile, os.O_CREAT | os.O_EXCL | os.O_RDWR) - break - except OSError as e: - if e.errno != errno.EEXIST: - raise - if (time.time() - start_time) >= self.timeout: - raise FileLockException("Timeout occured.") - time.sleep(self.delay) - self.is_locked = True - - def release(self): - """ Get rid of the lock by deleting the lockfile. - When working in a `with` statement, this gets automatically - called at the end. - """ - if self.is_locked: - os.close(self.fd) - os.unlink(self.lockfile) - self.is_locked = False - - def __enter__(self): - """ Activated when used in the with statement. - Should automatically acquire a lock to be used in the with block. - """ - if not self.is_locked: - self.acquire() - return self - - def __exit__(self, type, value, traceback): - """ Activated at the end of the with statement. - It automatically releases the lock if it isn't locked. - """ - if self.is_locked: - self.release() - - def __del__(self): - """ Make sure that the FileLock instance doesn't leave a lockfile - lying around. - """ - self.release() - -TEMPLATE = """ - - $raw_file_info - - $slice_peaks - - $num_cores - false - 1 - false - NaN - NaN - $calc_peak_properties - $use_original_precursor_mz - $fixed_mods - $multi_modification_search - $database - - - $advanced_ratios - $rt_shift - $fast_lfq - $randomize - $special_aas - $include_contamiants - $equal_il - 100 - $max_peptide_mass - $reporter_pif - $reporter_fraction - $reporter_base_peak_ratio - $score_threshold - $filter_aacounts - $second_peptide - $match_between_runs - $match_between_runs_fdr - $re_quantify - $dependent_peptides - $dependent_peptide_fdr - $dependent_peptide_mass_bin - $label_free - $lfq_min_edges_per_node - $lfq_av_edges_per_node - $hybrid_quantification - $msms_connection - $ibaq - $msms_recalibration - $ibaq_log_fit - $razor_protein_fdr - $calc_sequence_tags - $de_novo_var_mods - $mass_difference_search - $min_pep_len - $peptide_fdr - $peptide_pep - $protein_fdr - $site_fdr - $min_peptide_length_for_unspecific_search - $max_peptide_length_for_unspecific_search - $use_norm_ratios_for_occupancy - $min_peptides - $min_razor_peptides - $min_unique_peptides - $use_counterparts - $min_ratio_count - $lfq_min_ratio_count - $restrict_protein_quantification - $restrict_mods - $matching_time_window - $number_of_candidates_multiplexed_msms - $number_of_candidates_msms - $separate_aas_for_site_fdr - - - - - $group_params - - - - - - - $ftms_fragment_settings - $itms_fragment_settings - $tof_fragment_settings - $unknown_fragment_settings - - $keep_low_scores_mode - $msms_centroid_mode - $quant_mode - $site_quant_mode - - - $group_params - - - -""" - -GROUP_TEMPLATE = """ - $max_charge - $lcms_run_type - $ms_instrument - $group_index - $max_labeled_aa - $max_n_mods - $max_missed_cleavages - $multiplicity - $protease - $protease - false - false - $variable_mods - $isobaric_labels - - Oxidation (M) - Acetyl (Protein N-term) - - false - - - - - - - $do_mass_filtering - $first_search_tol - $main_search_tol - $labels -""" - -# -# -# Arg10; Lys8 -# - -fragment_settings = { - "FTMS": {"InPpm": "true", "Deisotope": "true", "Topx": "10", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "20", "tolerance_unit": "Ppm", "name": "FTMS"}, - "ITMS": {"InPpm": "false", "Deisotope": "false", "Topx": "6", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "0.5", "tolerance_unit": "Dalton", "name": "ITMS"}, - "TOF": {"InPpm": "false", "Deisotope": "true", "Topx": "10", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "0.1", "tolerance_unit": "Dalton", "name": "TOF"}, - "Unknown": {"InPpm": "false", "Deisotope": "false", "Topx": "6", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "0.5", "tolerance_unit": "Dalton", "name": "Unknown"}, -} - - -def build_isobaric_labels(reporter_type): - if not reporter_type: - return "" - if reporter_type == "itraq_4plex": - prefix = "iTRAQ4plex" - mzs = [114, 115, 116, 117] - elif reporter_type == "itraq_8plex": - prefix = "iTRAQ8plex" - mzs = [113, 114, 115, 116, 117, 118, 119, 121] - elif reporter_type == "tmt_2plex": - prefix = "TMT2plex" - mzs = [126, 127] - elif reporter_type == "tmt_6plex": - prefix = "TMT6plex" - mzs = [126, 127, 128, 129, 130, 131] - else: - raise Exception("Unknown reporter type - %s" % reporter_type) - labels = ["%s-%s%d" % (prefix, term, mz) for term in ["Nter", "Lys"] for mz in mzs] - return wrap(map(xml_string, labels), "isobaricLabels") - - -def parse_groups(inputs_file, group_parts=["num"], input_parts=["name", "path"]): - inputs_lines = [line.strip() for line in open(inputs_file, "r").readlines()] - inputs_lines = [line for line in inputs_lines if line and not line.startswith("#")] - cur_group = None - i = 0 - group_prefixes = ["%s:" % group_part for group_part in group_parts] - input_prefixes = ["%s:" % input_part for input_part in input_parts] - groups = {} - while i < len(inputs_lines): - line = inputs_lines[i] - if line.startswith(group_prefixes[0]): - # Start new group - cur_group = line[len(group_prefixes[0]):] - group_data = {} - for j, group_prefix in enumerate(group_prefixes): - group_line = inputs_lines[i + j] - group_data[group_parts[j]] = group_line[len(group_prefix):] - i += len(group_prefixes) - elif line.startswith(input_prefixes[0]): - input = [] - for j, input_prefix in enumerate(input_prefixes): - part_line = inputs_lines[i + j] - part = part_line[len(input_prefixes[j]):] - input.append(part) - if cur_group not in groups: - groups[cur_group] = {"group_data": group_data, "inputs": []} - groups[cur_group]["inputs"].append(input) - i += len(input_prefixes) - else: - # Skip empty line - i += 1 - return groups - - -def add_fragment_options(parser): - for name, options in fragment_settings.iteritems(): - for key, value in options.iteritems(): - option_key = ("%s_%s" % (name, key)).lower() - parser.add_option("--%s" % option_key, default=value) - - -def update_fragment_settings(arg_options): - for name, options in fragment_settings.iteritems(): - for key, value in options.iteritems(): - arg_option_key = ("%s_%s" % (name, key)).lower() - options[key] = getattr(arg_options, arg_option_key) - - -def to_fragment_settings(name, values): - """ - """ - - fragment_settings_template = """ - - - $tolerance_value - $tolerance_unit - - - """ - safe_values = dict(values) - for key, value in safe_values.iteritems(): - safe_values[key] = escape(value) - return Template(fragment_settings_template).substitute(safe_values) - - -def get_file_paths(files): - return wrap([xml_string(name) for name in files], "filePaths") - - -def get_file_names(file_names): - return wrap([xml_string(name) for name in file_names], "fileNames") - - -def get_file_groups(file_groups): - return wrap([xml_int(file_group) for file_group in file_groups], "paramGroups") - - -def wrap(values, tag): - return "<%s>%s" % (tag, "".join(values), tag) - - -def xml_string(str): - if str: - return "%s" % escape(str) - else: - return "" - - -def xml_int(value): - return "%d" % int(value) - - -def get_properties(options): - direct_properties = ["lcms_run_type", - "max_missed_cleavages", - "protease", - "first_search_tol", - "main_search_tol", - "max_n_mods", - "max_charge", - "max_labeled_aa", - "do_mass_filtering", - "calc_peak_properties", - "use_original_precursor_mz", - "multi_modification_search", - "keep_low_scores_mode", - "msms_centroid_mode", - "quant_mode", - "site_quant_mode", - "advanced_ratios", - "rt_shift", - "fast_lfq", - "randomize", - "aif_sil_weight", - "aif_iso_weight", - "aif_topx", - "aif_correlation", - "aif_correlation_first_pass", - "aif_min_mass", - "aif_msms_tol", - "aif_second_pass", - "aif_iterative", - "aif_threhold_fdr", - "restrict_protein_quantification", - "matching_time_window", - "number_of_candidates_multiplexed_msms", - "number_of_candidates_msms", - "separate_aas_for_site_fdr", - "special_aas", - "include_contamiants", - "equal_il", - "topx_window", - "max_peptide_mass", - "reporter_pif", - "reporter_fraction", - "reporter_base_peak_ratio", - "score_threshold", - "filter_aacounts", - "second_peptide", - "match_between_runs", - "match_between_runs_fdr", - "re_quantify", - "dependent_peptides", - "dependent_peptide_fdr", - "dependent_peptide_mass_bin", - "label_free", - "lfq_min_edges_per_node", - "lfq_av_edges_per_node", - "hybrid_quantification", - "msms_connection", - "ibaq", - "msms_recalibration", - "ibaq_log_fit", - "razor_protein_fdr", - "calc_sequence_tags", - "de_novo_var_mods", - "mass_difference_search", - "min_pep_len", - "peptide_fdr", - "peptide_pep", - "protein_fdr", - "site_fdr", - "min_peptide_length_for_unspecific_search", - "max_peptide_length_for_unspecific_search", - "use_norm_ratios_for_occupancy", - "min_peptides", - "min_razor_peptides", - "min_unique_peptides", - "use_counterparts", - "min_ratio_count", - "lfq_min_ratio_count", - ] - - props = { - "slice_peaks": "true", - "num_cores": str(options.num_cores), - "database": xml_string(setup_database(options)), - "process_folder": os.path.join(os.getcwd(), "process"), - } - for prop in direct_properties: - props[prop] = str(getattr(options, prop)) - - for name, fragment_options in fragment_settings.iteritems(): - key = "%s_fragment_settings" % name.lower() - props[key] = to_fragment_settings(name, fragment_options) - - restrict_mods_string = wrap(map(xml_string, options.restrict_mods), "restrictMods") - props["restrict_mods"] = restrict_mods_string - fixed_mods_string = wrap(map(xml_string, options.fixed_mods), "fixedModifications") - props["fixed_mods"] = fixed_mods_string - variable_mods_string = wrap(map(xml_string, options.variable_mods), "variableModifications") - props["variable_mods"] = variable_mods_string - return props - - -# http://stackoverflow.com/questions/377017/test-if-executable-exists-in-python -def which(program): - import os - - def is_exe(fpath): - return os.path.isfile(fpath) and os.access(fpath, os.X_OK) - - fpath, fname = os.path.split(program) - if fpath: - if is_exe(program): - return program - else: - for path in os.environ["PATH"].split(os.pathsep): - path = path.strip('"') - exe_file = os.path.join(path, program) - if is_exe(exe_file): - return exe_file - - return None - - -def get_unique_path(base, extension): - """ - """ - return "%s_%d%s" % (base, int(time.time() * 1000), extension) - - -def get_env_property(name, default): - if name in os.environ: - return os.environ[name] - else: - return default - - -def setup_database(options): - database_path = options.database - database_name = options.database_name - database_name = database_name.replace(" ", "_") - (database_basename, extension) = os.path.splitext(database_name) - database_destination = get_unique_path(database_basename, ".fasta") - assert database_destination == os.path.basename(database_destination) - symlink(database_path, database_destination) - - database_conf = get_env_property("MAXQUANT_DATABASE_CONF", None) - if not database_conf: - exe_path = which("MaxQuantCmd.exe") - database_conf = os.path.join(os.path.dirname(exe_path), "conf", "databases.xml") - with FileLock(database_conf + ".galaxy_lock"): - tree = ET.parse(database_conf) - root = tree.getroot() - databases_node = root.find("Databases") - database_node = ET.SubElement(databases_node, 'databases') - database_node.attrib["search_expression"] = ">([^ ]*)" - database_node.attrib["replacement_expression"] = "%1" - database_node.attrib["filename"] = database_destination - tree.write(database_conf) - return os.path.abspath(database_destination) - - -def setup_inputs(input_groups_path): - parsed_groups = parse_groups(input_groups_path) - paths = [] - names = [] - group_nums = [] - for group, group_info in parsed_groups.iteritems(): - files = group_info["inputs"] - group_num = group_info["group_data"]["num"] - for (name, path) in files: - name = os.path.basename(name) - if not name.lower().endswith(".raw"): - name = "%s.%s" % (name, ".RAW") - symlink(path, name) - paths.append(os.path.abspath(name)) - names.append(os.path.splitext(name)[0]) - group_nums.append(group_num) - file_data = (get_file_paths(paths), get_file_names(names), get_file_groups(group_nums)) - return "%s%s%s " % file_data - - -def set_group_params(properties, options): - labels = [""] - if options.labels: - labels = options.labels - labels_string = wrap([xml_string(label.replace(",", "; ")) for label in labels], "labels") - group_properties = dict(properties) - group_properties["labels"] = labels_string - group_properties["multiplicity"] = len(labels) - group_properties["group_index"] = "1" - group_properties["ms_instrument"] = "0" - group_params = Template(GROUP_TEMPLATE).substitute(group_properties) - properties["group_params"] = group_params - - -def split_mods(mods_string): - return [mod for mod in mods_string.split(",") if mod] if mods_string else [] - - -def run_script(): - parser = optparse.OptionParser() - parser.add_option("--input_groups") - parser.add_option("--database") - parser.add_option("--database_name") - parser.add_option("--num_cores", type="int", default=4) - parser.add_option("--max_missed_cleavages", type="int", default=2) - parser.add_option("--protease", default="Trypsin/P") - parser.add_option("--first_search_tol", default="20") - parser.add_option("--main_search_tol", default="6") - parser.add_option("--max_n_mods", type="int", default=5) - parser.add_option("--max_charge", type="int", default=7) - parser.add_option("--do_mass_filtering", default="true") - parser.add_option("--labels", action="append", default=[]) - parser.add_option("--max_labeled_aa", type="int", default=3) - parser.add_option("--keep_low_scores_mode", type="int", default=0) - parser.add_option("--msms_centroid_mode", type="int", default=1) - # 0 = all peptides, 1 = Use razor and unique peptides, 2 = use unique peptides - parser.add_option("--quant_mode", type="int", default=1) - parser.add_option("--site_quant_mode", type="int", default=0) - parser.add_option("--aif_sil_weight", type="int", default=4) - parser.add_option("--aif_iso_weight", type="int", default=2) - parser.add_option("--aif_topx", type="int", default=50) - parser.add_option("--aif_correlation", type="float", default=0.8) - parser.add_option("--aif_correlation_first_pass", type="float", default=0.8) - parser.add_option("--aif_min_mass", type="float", default=0) - parser.add_option("--aif_msms_tol", type="float", default=10) - parser.add_option("--aif_second_pass", default="false") - parser.add_option("--aif_iterative", default="false") - parser.add_option("--aif_threhold_fdr", default="0.01") - parser.add_option("--restrict_protein_quantification", default="true") - parser.add_option("--matching_time_window", default="2") - parser.add_option("--number_of_candidates_multiplexed_msms", default="50") - parser.add_option("--number_of_candidates_msms", default="15") - parser.add_option("--separate_aas_for_site_fdr", default="true") - parser.add_option("--advanced_ratios", default="false") - parser.add_option("--rt_shift", default="false") - parser.add_option("--fast_lfq", default="true") - parser.add_option("--randomize", default="false") - parser.add_option("--special_aas", default="KR") - parser.add_option("--include_contamiants", default="false") - parser.add_option("--equal_il", default="false") - parser.add_option("--topx_window", default="100") - parser.add_option("--max_peptide_mass", default="5000") - parser.add_option("--reporter_pif", default="0.75") - parser.add_option("--reporter_fraction", default="0") - parser.add_option("--reporter_base_peak_ratio", default="0") - parser.add_option("--score_threshold", default="0") - parser.add_option("--filter_aacounts", default="true") - parser.add_option("--second_peptide", default="true") - parser.add_option("--match_between_runs", default="false") - parser.add_option("--match_between_runs_fdr", default="false") - parser.add_option("--re_quantify", default="true") - parser.add_option("--dependent_peptides", default="false") - parser.add_option("--dependent_peptide_fdr", default="0.01") - parser.add_option("--dependent_peptide_mass_bin", default="0.0055") - parser.add_option("--label_free", default="false") - parser.add_option("--lfq_min_edges_per_node", default="3") - parser.add_option("--lfq_av_edges_per_node", default="6") - parser.add_option("--hybrid_quantification", default="false") - parser.add_option("--msms_connection", default="false") - parser.add_option("--ibaq", default="false") - parser.add_option("--msms_recalibration", default="false") - parser.add_option("--ibaq_log_fit", default="true") - parser.add_option("--razor_protein_fdr", default="true") - parser.add_option("--calc_sequence_tags", default="false") - parser.add_option("--de_novo_var_mods", default="true") - parser.add_option("--mass_difference_search", default="false") - parser.add_option("--min_pep_len", default="7") - parser.add_option("--peptide_fdr", default="0.01") - parser.add_option("--peptide_pep", default="1") - parser.add_option("--protein_fdr", default="0.01") - parser.add_option("--site_fdr", default="0.01") - parser.add_option("--min_peptide_length_for_unspecific_search", default="8") - parser.add_option("--max_peptide_length_for_unspecific_search", default="25") - parser.add_option("--use_norm_ratios_for_occupancy", default="true") - parser.add_option("--min_peptides", default="1") - parser.add_option("--min_razor_peptides", default="1") - parser.add_option("--min_unique_peptides", default="0") - parser.add_option("--use_counterparts", default="false") - parser.add_option("--min_ratio_count", default="2") - parser.add_option("--lfq_min_ratio_count", default="2") - parser.add_option("--calc_peak_properties", default="false") - parser.add_option("--use_original_precursor_mz", default="false") - parser.add_option("--multi_modification_search", default="false") - parser.add_option("--lcms_run_type", default="0") - parser.add_option("--reporter_type", default=None) - parser.add_option("--output_mqpar", default=None) - text_outputs = { - "aif_msms": "aifMsms", - "all_peptides": "allPeptides", - "evidence": "evidence", - "modification_specific_peptides": "modificationSpecificPeptides", - "msms": "msms", - "msms_scans": "msmsScans", - "mz_range": "mzRange", - "parameters": "parameters", - "peptides": "peptides", - "protein_groups": "proteinGroups", - "sim_peptides": "simPeptides", - "sim_scans": "simScans", - "summary": "summary" - } - for output in text_outputs.keys(): - parser.add_option("--output_%s" % output, default=None) - - parser.add_option("--variable_mods", default="Oxidation (M),Acetyl (Protein N-term)") - parser.add_option("--restrict_mods", default="Oxidation (M),Acetyl (Protein N-term)") - parser.add_option("--fixed_mods", default="Carbamidomethyl (C)") - - add_fragment_options(parser) - - (options, args) = parser.parse_args() - options.restrict_mods = split_mods(options.restrict_mods) - options.fixed_mods = split_mods(options.fixed_mods) - options.variable_mods = split_mods(options.variable_mods) - - update_fragment_settings(options) - - raw_file_info = setup_inputs(options.input_groups) - properties = get_properties(options) - properties["raw_file_info"] = raw_file_info - properties["isobaric_labels"] = build_isobaric_labels(options.reporter_type) - set_group_params(properties, options) - driver_contents = Template(TEMPLATE).substitute(properties) - open("mqpar.xml", "w").write(driver_contents) - print driver_contents - execute("MaxQuantCmd.exe mqpar.xml %d" % options.num_cores) - for key, basename in text_outputs.iteritems(): - attribute = "output_%s" % key - destination = getattr(options, attribute, None) - if destination: - source = os.path.join("combined", "txt", "%s.txt" % basename) - shutil.copy(source, destination) - output_mqpar = options.output_mqpar - if output_mqpar: - shutil.copy("mqpar.xml", output_mqpar) - -if __name__ == '__main__': - __main__() diff -r d4b6c9eae635 -r 8bac3cc5c5de modifications.xml --- a/modifications.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,2580 +0,0 @@ - - - - notCterm - - - - - - - standard - - - proteinNterm - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - - - - - - - - - - - - - - - standard - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - standard - - - anywhere - - - standard - - - anywhere - - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anyNterm - - standard - - - anyNterm - - standard - - - anywhere - - - - - - - - - - - - - - - - - standard - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anyCterm - - label - - - anywhere - - label - - - anywhere - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - anywhere - - label - - - anyNterm - - label - - - notCterm - - - - - - - - - - - - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anyNterm - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - - - - isobaricLabel - - - anywhere - - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - 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anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - standard - - - anywhere - - - standard - - - anywhere - - label - - - anywhere - - label - - \ No newline at end of file diff -r d4b6c9eae635 -r 8bac3cc5c5de mqparam.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mqparam.py Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,349 @@ +""" +Create a project-specific MaxQuant parameter file. + +TODO: check validity of parsed experimental design template + add support for parameter groups + add reporter ion MS2 + add label free quantification + don't hardcode parse rules for fasta files + +Author: Damian Glaetzer +""" + +import ntpath +import os +import re +import xml.etree.ElementTree as ET +from itertools import zip_longest +from xml.dom import minidom + + +class MQParam: + """Represents a mqpar.xml and provides methods to modify + some of its parameters. + """ + + fasta_template = """ + + + + + + + + """ + + def __init__(self, mqpar_out, mqpar_in, exp_design, + substitution_rx=r'[^\s\S]'): # no sub by default + """Initialize MQParam class. mqpar_in can either be a template + or a already suitable mqpar file. + >>> t = MQParam("test", './test-data/template.xml', None) + >>> t.root.tag + 'MaxQuantParams' + >>> (t.root.find('maxQuantVersion')).text + '1.6.3.4' + """ + + self.orig_mqpar = mqpar_in + self.exp_design = exp_design + self.mqpar_out = mqpar_out + self.root = ET.parse(mqpar_in).getroot() + self.version = self.root.find('maxQuantVersion').text + # regex for substitution of certain file name characters + self.substitution_rx = substitution_rx + + @staticmethod + def _add_child(el, name, text, attrib=None): + """Add a child element to an element. + + >>> t = MQParam("test", './test-data/template.xml', None) + >>> MQParam._add_child(t.root, "test", "test") + >>> t.root.find('test').text == "test" + True + """ + + child = ET.SubElement(el, name, attrib=attrib if attrib else {}) + child.text = str(text) + + def _make_exp_design(self, infiles): + """Create a dict representing an experimental design from + an experimental design template and a list of input files. + If the experimental design template is None, create a default + design with one experiment for each input file, no fractions and + parameter group 0 for all files. + >>> t2 = MQParam("test", './test-data/template.xml', \ + './test-data/two/exp_design_template.txt') + >>> design = t2._make_exp_design(['./test-data/BSA_min_21.mzXML', \ + './test-data/BSA_min_22.mzXML']) + >>> design['Name'] + ['./test-data/BSA_min_21.mzXML', './test-data/BSA_min_22.mzXML'] + >>> design['Fraction'] + ['1', '2'] + """ + design = {s: [] for s in ("Name", "PTM", "Fraction", "Experiment")} + if not self.exp_design: + design["Name"] = infiles + design["Fraction"] = ('32767',) * len(infiles) + design["Experiment"] = [os.path.split(f)[1] for f in infiles] + design["PTM"] = ('False',) * len(infiles) + else: + with open(self.exp_design) as design_file: + index_line = design_file.readline().strip() + index = [] + for i in index_line.split('\t'): + if i in design: + index.append(i) + else: + raise Exception("Invalid comlumn index in experimental" + + " design template: {}".format(i)) + for line in design_file: + row = line.strip().split('\t') + for e, i in zip_longest(row, index): + design[i].append(e) + + # map infiles to names in exp. design template + names = [] + names_to_paths = {} + # strip path and extension + for f in infiles: + b = os.path.basename(f) + basename = b[:-6] if b.endswith('.mzXML') else b[:-11] + names_to_paths[basename] = f + for name in design['Name']: + # same substitution as in maxquant.xml, + # when passing the element identifiers + fname = re.sub(self.substitution_rx, '_', name) + names.append(names_to_paths[fname] if fname in names_to_paths + else None) + # replace orig. file names with matching links to galaxy datasets + design['Name'] = names + + return design + + def add_infiles(self, infiles, interactive): + """Add a list of raw/mzxml files to the mqpar.xml. + If experimental design template was specified, + modify other parameters accordingly. + The files must be specified as absolute paths + for maxquant to find them. + >>> t1 = MQParam("test", './test-data/template.xml', None) + >>> t1.add_infiles(('test1', ), True) + >>> t1.root.find("filePaths")[0].text + 'test1' + >>> t1.root.find("fractions")[0].text + '32767' + >>> len(t1.root.find("fractions")) + 1 + >>> t2 = MQParam("test", './test-data/template.xml', \ + './test-data/exp_design_test.txt') + >>> t2.add_infiles(('test-data/QEplus021874.thermo.raw', \ + 'test-data/QEplus021876.thermo.raw'), True) + >>> len(t2.root.find("filePaths")) + 2 + >>> t2.root.find("filePaths")[1].text + 'test-data/QEplus021876.thermo.raw' + >>> t2.root.find("experiments")[1].text + '2' + >>> t2.root.find("fractions")[0].text + '3' + """ + + # Create experimental design for interactive mode. + # In non-interactive mode only filepaths are modified, but + # their order from the original mqpar must be kept. + if interactive: + index = range(len(infiles)) + nodenames = ('filePaths', 'experiments', 'fractions', + 'ptms', 'paramGroupIndices', 'referenceChannel') + design = self._make_exp_design(infiles) + else: + index = [-1] * len(infiles) + # kind of a BUG: fails if filename starts with '.' + infilenames = [os.path.basename(f).split('.')[0] for f in infiles] + i = 0 + for child in self.root.find('filePaths'): + # either windows or posix path + win = ntpath.basename(child.text) + posix = os.path.basename(child.text) + basename = win if len(win) < len(posix) else posix + basename_with_sub = re.sub(self.substitution_rx, '_', + basename.split('.')[0]) + # match infiles to their names in mqpar.xml, + # ignore files missing in mqpar.xml + if basename_with_sub in infilenames: + index[i] = infilenames.index(basename_with_sub) + i += 1 + else: + raise ValueError("no matching infile found for " + + child.text) + + nodenames = ('filePaths', ) + design = {'Name': infiles} + + # Get parent nodes from document + nodes = dict() + for nodename in nodenames: + node = self.root.find(nodename) + if node is None: + raise ValueError('Element {} not found in parameter file' + .format(nodename)) + nodes[nodename] = node + node.clear() + node.tag = nodename + + # Append sub-elements to nodes (one per file) + for i in index: + if i > -1 and design['Name'][i]: + MQParam._add_child(nodes['filePaths'], 'string', + design['Name'][i]) + if interactive: + MQParam._add_child(nodes['experiments'], 'string', + design['Experiment'][i]) + MQParam._add_child(nodes['fractions'], 'short', + design['Fraction'][i]) + MQParam._add_child(nodes['ptms'], 'boolean', + design['PTM'][i]) + MQParam._add_child(nodes['paramGroupIndices'], 'int', 0) + MQParam._add_child(nodes['referenceChannel'], 'string', '') + + def add_fasta_files(self, files, + identifier=r'>([^\s]*)', + description=r'>(.*)'): + """Add fasta file groups. + >>> t = MQParam('test', './test-data/template.xml', None) + >>> t.add_fasta_files(('test1', 'test2')) + >>> len(t.root.find('fastaFiles')) + 2 + >>> t.root.find('fastaFiles')[0].find("fastaFilePath").text + 'test1' + """ + fasta_node = self.root.find("fastaFiles") + fasta_node.clear() + fasta_node.tag = "fastaFiles" + + for index in range(len(files)): + filepath = '' + files[index] + fasta = self.fasta_template.replace('', filepath) + fasta = fasta.replace('', + '' + identifier) + fasta = fasta.replace('', + '' + description) + ff_node = self.root.find('.fastaFiles') + fastaentry = ET.fromstring(fasta) + ff_node.append(fastaentry) + + def set_simple_param(self, key, value): + """Set a simple parameter. + >>> t = MQParam(None, './test-data/template.xml', None) + >>> t.set_simple_param('min_unique_pep', 4) + >>> t.root.find('.minUniquePeptides').text + '4' + """ + # map simple params to their node in the xml tree + simple_params = {'missed_cleavages': + '.parameterGroups/parameterGroup/maxMissedCleavages', + 'min_unique_pep': '.minUniquePeptides', + 'num_threads': 'numThreads', + 'calc_peak_properties': '.calcPeakProperties', + 'write_mztab': 'writeMzTab', + 'min_peptide_len': 'minPepLen', + 'max_peptide_mass': 'maxPeptideMass', + 'match_between_runs': 'matchBetweenRuns', + 'ibaq': 'ibaq', # lfq global options + 'ibaq_log_fit': 'ibaqLogFit', + 'separate_lfq': 'separateLfq', + 'lfq_stabilize_large_ratios': + 'lfqStabilizeLargeRatios', + 'lfq_require_msms': 'lfqRequireMsms', + 'advanced_site_intensities': + 'advancedSiteIntensities', + 'lfq_mode': # lfq param group options + '.parameterGroups/parameterGroup/lfqMode', + 'lfq_skip_norm': + '.parameterGroups/parameterGroup/lfqSkipNorm', + 'lfq_min_edges_per_node': + '.parameterGroups/parameterGroup/lfqMinEdgesPerNode', + 'lfq_avg_edges_per_node': + '.parameterGroups/parameterGroup/lfqAvEdgesPerNode', + 'lfq_min_ratio_count': + '.parameterGroups/parameterGroup/lfqMinRatioCount'} + + if key in simple_params: + node = self.root.find(simple_params[key]) + if node is None: + raise ValueError('Element {} not found in parameter file' + .format(simple_params[key])) + node.text = str(value) + else: + raise ValueError("Parameter not found.") + + def set_silac(self, light_mods, medium_mods, heavy_mods): + """Set label modifications. + >>> t1 = MQParam('test', './test-data/template.xml', None) + >>> t1.set_silac(None, ('test1', 'test2'), None) + >>> t1.root.find('.parameterGroups/parameterGroup/maxLabeledAa').text + '2' + >>> t1.root.find('.parameterGroups/parameterGroup/multiplicity').text + '3' + >>> t1.root.find('.parameterGroups/parameterGroup/labelMods')[1].text + 'test1;test2' + >>> t1.root.find('.parameterGroups/parameterGroup/labelMods')[2].text + '' + """ + multiplicity = 3 if medium_mods else 2 if heavy_mods else 1 + max_label = str(max(len(light_mods) if light_mods else 0, + len(medium_mods) if medium_mods else 0, + len(heavy_mods) if heavy_mods else 0)) + multiplicity_node = self.root.find('.parameterGroups/parameterGroup/' + + 'multiplicity') + multiplicity_node.text = str(multiplicity) + max_label_node = self.root.find('.parameterGroups/parameterGroup/' + + 'maxLabeledAa') + max_label_node.text = max_label + + node = self.root.find('.parameterGroups/parameterGroup/labelMods') + node[0].text = ';'.join(light_mods) if light_mods else '' + if multiplicity == 3: + MQParam._add_child(node, name='string', text=';'.join(medium_mods)) + if multiplicity > 1: + MQParam._add_child(node, name='string', + text=';'.join(heavy_mods) if heavy_mods else '') + + def set_list_params(self, key, vals): + """Set a list parameter. + >>> t = MQParam(None, './test-data/template.xml', None) + >>> t.set_list_params('proteases', ('test 1', 'test 2')) + >>> len(t.root.find('.parameterGroups/parameterGroup/enzymes')) + 2 + >>> t.set_list_params('var_mods', ('Oxidation (M)', )) + >>> var_mods = '.parameterGroups/parameterGroup/variableModifications' + >>> t.root.find(var_mods)[0].text + 'Oxidation (M)' + """ + + params = {'var_mods': + '.parameterGroups/parameterGroup/variableModifications', + 'fixed_mods': + '.parameterGroups/parameterGroup/fixedModifications', + 'proteases': + '.parameterGroups/parameterGroup/enzymes'} + + if key in params: + node = self.root.find(params[key]) + if node is None: + raise ValueError('Element {} not found in parameter file' + .format(params[key])) + node.clear() + node.tag = params[key].split('/')[-1] + for e in vals: + MQParam._add_child(node, name='string', text=e) + else: + raise ValueError("Parameter {} not found.".format(key)) + + def write(self): + rough_string = ET.tostring(self.root, 'utf-8', short_empty_elements=False) + reparsed = minidom.parseString(rough_string) + pretty = reparsed.toprettyxml(indent="\t") + even_prettier = re.sub(r"\n\s+\n", r"\n", pretty) + with open(self.mqpar_out, 'w') as f: + print(even_prettier, file=f) diff -r d4b6c9eae635 -r 8bac3cc5c5de mqwrapper.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mqwrapper.py Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,148 @@ +""" +Run MaxQuant on a modified mqpar.xml. +Use maxquant conda package. +TODO: add support for parameter groups + +Authors: Damian Glaetzer + +based on the maxquant galaxy tool by John Chilton: +https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant +""" + +import argparse +import os +import shutil +import subprocess + +import mqparam + +# build parser +parser = argparse.ArgumentParser() + +# input, special outputs and others +other_args = ('raw_files', 'mzxml_files', 'fasta_files', + 'description_parse_rule', 'identifier_parse_rule', + 'exp_design', 'output_all', + 'mqpar_out', 'infile_names', 'mzTab', + 'version', 'substitution_rx') + +# txt result files +txt_output = ('evidence', 'msms', 'parameters', + 'peptides', 'proteinGroups', 'allPeptides', + 'libraryMatch', 'matchedFeatures', + 'modificationSpecificPeptides', 'ms3Scans', + 'msmsScans', 'mzRange', 'peptideSection', + 'summary') + +# arguments for mqparam +## global +global_flags = ('calc_peak_properties', + 'write_mztab', + 'ibaq', + 'ibaq_log_fit', + 'separate_lfq', + 'lfq_stabilize_large_ratios', + 'lfq_require_msms', + 'advanced_site_intensities', + 'match_between_runs') + +global_simple_args = ('min_unique_pep', + 'num_threads', + 'min_peptide_len', + 'max_peptide_mass') + +## parameter group specific +param_group_flags = ('lfq_skip_norm',) + +param_group_simple_args = ('missed_cleavages', + 'lfq_mode', + 'lfq_min_edges_per_node', + 'lfq_avg_edges_per_node', + 'lfq_min_ratio_count') + +param_group_silac_args = ('light_mods', 'medium_mods', 'heavy_mods') + +list_args = ('fixed_mods', 'var_mods', 'proteases') + +arguments = ['--' + el for el in (txt_output + + global_simple_args + + param_group_simple_args + + list_args + + param_group_silac_args + + other_args)] + +flags = ['--' + el for el in global_flags + param_group_flags] + +for arg in arguments: + parser.add_argument(arg) +for flag in flags: + parser.add_argument(flag, action="store_true") + +args = vars(parser.parse_args()) + +# link infile datasets to names with correct extension +# for maxquant to accept them +files = (args['raw_files'] if args['raw_files'] + else args['mzxml_files']).split(',') +ftype = ".thermo.raw" if args['raw_files'] else ".mzXML" +filenames = args['infile_names'].split(',') +fnames_with_ext = [(a if a.endswith(ftype) + else os.path.splitext(a)[0] + ftype) + for a in filenames] + +for f, l in zip(files, fnames_with_ext): + os.link(f, l) + +# build mqpar.xml +mqpar_in = os.path.join(os.getcwd(), 'mqpar.xml') +subprocess.run(('maxquant', '-c', mqpar_in)) +mqpar_out = args['mqpar_out'] if args['mqpar_out'] != 'None' else mqpar_in + + +exp_design = args['exp_design'] if args['exp_design'] != 'None' else None +m = mqparam.MQParam(mqpar_out, mqpar_in, exp_design, + substitution_rx=args['substitution_rx']) +if m.version != args['version']: + raise Exception('mqpar version is ' + m.version + + '. Tool uses version {}.'.format(args['version'])) + +# modify parameters, interactive mode if no mqpar_in was specified +m.add_infiles([os.path.join(os.getcwd(), name) for name in fnames_with_ext], True) +m.add_fasta_files(args['fasta_files'].split(','), + identifier=args['identifier_parse_rule'], + description=args['description_parse_rule']) + +for e in (global_simple_args + + param_group_simple_args + + global_flags + + param_group_flags): + if args[e]: + m.set_simple_param(e, args[e]) + +for e in list_args: + if args[e]: + m.set_list_params(e, args[e].split(',')) + +if args['light_mods'] or args['medium_mods'] or args['heavy_mods']: + m.set_silac(args['light_mods'].split(',') if args['light_mods'] else None, + args['medium_mods'].split(',') if args['medium_mods'] else None, + args['heavy_mods'].split(',') if args['heavy_mods'] else None) + +m.write() + +# build and run MaxQuant command +cmd = ['maxquant', mqpar_out] + +subprocess.run(cmd, check=True, cwd='./') + +# copy results to galaxy database +for el in txt_output: + destination = args[el] + source = os.path.join(os.getcwd(), "combined", "txt", "{}.txt".format(el)) + if destination != 'None' and os.path.isfile(source): + shutil.copy(source, destination) + +if args['mzTab'] != 'None': + source = os.path.join(os.getcwd(), "combined", "txt", "mzTab.mzTab") + if os.path.isfile(source): + shutil.copy(source, args['mzTab']) diff -r d4b6c9eae635 -r 8bac3cc5c5de proteases.xml --- a/proteases.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1 +0,0 @@ - \ No newline at end of file diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/BSA_min_23.mzXML --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/BSA_min_23.mzXML Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,2198 @@ + + + + + + + + + + + + + + + + + + + + + + + + + Thermo/Xcalibur peak picking + + + 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8+j0hsNgWkek2awPZs4W+GUWgNmeGzR+YCqYHZ1JCz/sBLP4ZLqX/RfM7v+L94M3w7gpx2nw0E0Y55JAPV9fwfhpHngpsgTGz7lJK5f8gvFCf1q6rx7GO4+gYx3TYLznQ4ry/g/MuW7s5T+D+axZWFTvC+b/TaKPrr1gfssBMwNEzI6krjtmYF79g5Jb+2GC2gKakUUwYcljfDxpPUxYupUW7k6FCf+cpBFaQpj4wYykrNpgkuAvNiu9gkmq1eR07CFMqj9E7iG3wEJFnzIsQsHC+iB+l9kKFlPO4S2VVrCwmUTSPvFgEXQcb6lOA4ut2hg3wxss2oNoukQMWHxQJ+flF8CiLxc/nR0DFgNSeG9DK1geMMAPvXPBMmILyWX9C5YxVzDJNgAsM49hYrI4WB2+h5XRwWAVOYTv47XA6uI0fCnqW6zqbuEjgyqwGvYkk5dCmMydpA8tfjDZdJgMpZ1h8pzN2LttFkyui8HazL1gbZpIp4o0wXrOCLJYFgxTorJp3JQemJImTXLfdMFGBbHqqRdMva9EwgMCmFo3lWK2/APT6h0wv9UMZrTsICmzUJjxPIJX0LoDs/reC5d5FcBsZTGhVrY6zJ6iyR/Y5gGzXRRoj/l9mB1kTC7bDsIc5UR8ZXQa5tzXx6r5R2BOXzTWh+yD/3H3CK+dg/8lteO1k6kwV/R/B29uh7lnNmGZ2g6Y5/KGQuTqYN5ZhsXqE2B+bIVwT4U9zH8+ii+ZKwELtOaRq5c+LFh+COtGRsGChk6SfKIJTNUYv7peAbbUBBN9OoE19GLhpfMA5p6Yqv0R0P0rCS4MAXrN4h9dkQGMCaFpllKAF7dSWdtOIDUXknfVBxr/miYGJwLtf4ZfPncBv14bb1i6Ad9QjH8u+ILQaAa5ym8HoaU1zb07E4TnbbF4aRoIm65g0YkYsG25gBk1KmBntJFiV5mBneVcXqBdBHZzVOjhXyWws+3jxw07gJ2LFp++8QzYueaQU2ob2EUtpaqRy8Cuv5bGD/fDQuXXNHprP9irjcTcGzzYz1Eiq3hPsLcTp9xgDbB3baDr/74Ae78CCpLMAPtNbqQlJQv2e+Zhw+EwsD+2mAy0GNjHnxc6r3sE9m0v+DNL08FB5y/taHUGh4kheEFwChymHKTZm/8DB5fZ5GSRCg5px/BKlDk4fNyI5X3i4PBzGkmvUIRF0UgC3gYW5cph3t8ucJyuQpnHG8DRlacxb4zA8R8TCtoiA45BufiyZC047jhJeh7nwTG6DS8q1YJjxlW8730CHBvtsVB2NzjJS2H5Rktw2srR4sx0cDprT3McwsApbQamafXAkm/atG+sKSwZ/sUbNrqBs0wVLz6cBs5ql+md+SFwNvanQJvr4Gyli+9/NIHz+TWYrLoalsqU0SjBBlhqFYqJMqng2totPF7wCdy0jPgvXfrg5u5FFQfLwS1tBeYs84F/HnL4ZEsGLF+Wg18froHlUVWEjpWwPFYcSxuOwvIHuSSr5gjLv2uQrlgWuDudoH2ZDeC+2ZRcnBLAI/olBXx/DR7pfTTxqzl41K0lB31L8GhwsTNL2gQevWvJwxvAo28lrY1OAo/v/nZq41TB4+d3MrddAp4q/rYP436Ap0UOpv+cCJ42W23VfE3Ak1zw3eB58Fy6TTgtLAA8l13CF+4Enls38JbvRfKzAaS9ehg8Y6bi0LNE8IwNwuzgQvDi1LH9mzN4eVrS9N2a4LVHNBf9iQCvtEP4bno3eDXMx9JN6eBd9422Z3WAd78yUaAG+Fh3YT3OBV/1d3i5Zz74Th+P0QucwfcfDgfkn4Hv/XBSPPYRfH9MokfqIeA7xOPTD//BClVPCirgYKVWolAeN8BKpxy8k7UeVrq/52d6fIWVccZknesPq9YXY5a+Maz6GY7ZzBFW1//idRJKYfV3BV4vXwXWqEjTeV0BrLEZQX4XU2Bdtg82Hk2A9YfEMbmnFdafV8PP77Rgg1E0VnJRsMGskDfo14QN49fQyU/LIKDVjMJgPmw0LcI2lbuwWT0KPxT9hUCNZD6qOwQCZ1TzsU5XIXBZNe81aSEE7mymqAldEHg+myx/ZkPQYQE2Om2GnbPnktEcO9jpEUcKHothZ/BZGileCrvkPPDT7jbYNV+C6jZPgeBHpiQ/txCCK/aTePEr2P8oHPsfT4YDckU04dQ3ODChmEY0a8CBBTMw29MIQhovkrr0dwhpz6R/pZog5O01muF9EA5ttcPk+b/hiONsLKPdcCRoB8mWnIPQgBLs6RgLoUcUsDimGcK+fsHGqY1wYpMd+ZXWwEm/ary11RROLdLABrNEOLXYC58bZkP4ySJMGeMBEVwcTdz/HSJeJ2HtqTyInDSO5MYKIHL6R0oRvIXIuY8wY9UdiGShFBnbCZGLJlNC6QBE/vOaFr60hEi/KBq96w2cXR2IT7jVEM0VkWubHkTP+UAjjBsgOlxUx9Kb4Vx2jGjOV4b4itlkFmEDF7XnY/aq8XC58hiW7lgNSZZlWOT7CpI6tDB7vjPcUDOgM35+kDw8A4s+V8Pd+21YOZgGKY6rMLPHAFKuvsKUPjdIwzeYrXod0reMxLtSrZB+sR3vLvKGjCnjMa27BzLmTsAaA394OO8GPn4hB9nlLVTaPh1y7l3HF7cKIXf+EDZsuA4F9kew4ucsKIh3w2pRX1hw8QfNl/4AhTvGkuwORSjcPZ8O7o6AwuDb2E2JUDg0iI3vlKHw71zyvtIKReKzKGFSPBRJtPNPqwiKpKJ5sdf3oEhmDbac3AVFcjPwV+o3KFJcj31rwqEodxiLxztA8dTbJDiyH0qUl5H01WwoqdbA6wVCKKnxwo4FHlCaUkrW6wRQ2niDZP2DoLRzCrmZKENpF08j7GKhbNYkXuyhKZRLjyK5QxehPOwHlk/vh/LToZjS1AxPJ3/GhrGX4WngFDLQzfo/bT3iZA== 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/dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/bsa.fasta Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,12 @@ +>bsa sp|P02769|ALBU_BOVIN Serum albumin OS=Bos taurus OX=9913 GN=ALB PE=1 SV=4 +MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPF +DEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEP +ERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYY +ANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVA +RLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKE +CCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRR +HPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEK +LGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLIL +NRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLP +DTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVV +STQTALA diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/exp_design_test.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/exp_design_test.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,3 @@ +Name Fraction Experiment PTM +QEplus021874 3 1 +QEplus021876 4 2 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/allPeptides.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/allPeptides.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,166 @@ +Raw file Type Charge m/z Mass Uncalibrated m/z Resolution Number of data points Number of scans Number of isotopic peaks PIF Mass fractional part Mass deficit Mass precision [ppm] Max intensity m/z 0 Retention time Retention length Retention length (FWHM) Min scan number Max scan number Identified MS/MS IDs Sequence Length Modifications Modified sequence Proteins Score Intensity Intensities Isotope pattern MS/MS Count MSMS Scan Numbers MSMS Isotope Indices +BSA_min_23 MULTI 3 710.69967 2129.0772 710.69967 NaN 5 3 2 0.077192 0.0578164096173168 1.180035 711.033930698172 0.037 8.255 0 1 25 -1 0 NaN 27555 0;16823.720703125;10726.12109375;6644.5966796875;0 7737.3974609375;9086.3232421875 0 +BSA_min_23 MULTI 3 1567.4354 4699.2845 1567.4354 NaN 5 3 2 0.284514 0.0828426326752378 7.986968 1568.10387245715 0.067 8.255 0 1 25 -1 0 NaN 137580 0;23479.5932617188;59085.9194335938;20990.259765625;0 0;0;53540.3203125;7305.36279296875 0 +BSA_min_23 MULTI 2 466.26817 930.5218 466.26817 NaN 6 4 2 0.521797 0.0537564853223103 1.477127 466.26850803291 0.107 10.33 0 1 31 -1 0 NaN 33499 0;16896.8359375;13251.4482421875;29638.681640625;21903.5859375;0 22962.34375;6676.337890625 0 +BSA_min_23 MULTI 2 835.80692 1669.5993 835.80692 NaN 7 4 2 0.599289 -0.208726257088529 1.196939 835.807035746435 0.107 10.33 0 1 31 -1 0 NaN 35250 0;14611.8764648438;18125.6357421875;25099.0166015625;15365.583984375;0 16483.943359375;8615.0732421875 0 +BSA_min_23 MULTI 2 889.42648 1776.8384 889.42648 NaN 6 3 2 0.838398 -0.0189472723534436 2.943901 889.927320499287 0.107 8.255 0 1 25 -1 0 NaN 24592 0;9125.99072265625;13286.1201171875;16742.716796875;0 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1 27 0 +BSA_min_23 MULTI 3 487.53462 1459.582 487.53462 NaN 16 8 3 0.582041 -0.129367074224319 0.655422 487.53461224021 0.133 19.043 0 1 55 -1 0 NaN 84731 0;7211.73095703125;32638.8959960938;79787.74609375;74581.1875;40743.359375;31912.87890625;10748.6064453125;5496.4296875;0 40288.40234375;32200.93359375;13735.64453125 1 33 1 +BSA_min_23 MULTI 3 583.22015 1746.6386 583.22015 NaN 7 4 2 0.638625 -0.204828530265331 2.286815 583.220239813966 0.176 10.457 0 7 37 -1 0 NaN 42292 0;4036.83081054688;17411.11328125;19834.8046875;29221.802734375;0 17431.560546875;11790.2421875 0 +BSA_min_23 MULTI 3 635.60251 1903.7857 635.60251 NaN 11 5 3 0.785698 -0.130043202729439 1.119621 635.602244079812 0.167 12.618 0 7 43 -1 0 NaN 45493 0;8725.0478515625;17613.3891601563;33308.2824707031;39386.6171875;0;0 17209.375;13758.326171875;9491.1767578125 0 +BSA_min_23 MULTI 2 730.79903 1459.5835 730.79903 NaN 10 6 2 0.583509 -0.127899156014337 0.609982 730.799136547346 0.151 14.666 0 1 43 -1 0 NaN 77496 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-0.0874772228673919 0.244261 423.15400484274 0.578 15.582 0 61 99 -1 0 NaN 56980 0;10974.43359375;11466.44140625;17695.392578125;29738.080078125;42405.1352539063;49777.7587890625;52918.2924804688;55294.6079101563;0 49874.32421875;6935.59619140625 0 +BSA_min_23 MULTI 1 438.12074 437.11346 438.12074 NaN 14 7 2 0.113465 -0.127607350821677 4.801833 438.11835276147 0.563 13.784 0 65 99 -1 0 NaN 49183 0;12628.0346679688;18828.69140625;25120.1083984375;28692.1123046875;39040.9453125;47403.76953125;43417.169921875;0 25243.626953125;22160.142578125 0 +BSA_min_23 MULTI 2 472.23519 942.45582 472.23519 NaN 13 7 2 0.455821 -0.01770892971183 0.709379 472.235066999616 0.489 13.784 0 65 99 -1 0 NaN 56353 0;15947.7456054688;22278.6396484375;49859.734375;37677.9208984375;41839.669921875;29963.1635742188;33816.36328125;0 37885.62109375;14462.3369140625 0 +BSA_min_23 MULTI 3 512.90492 1535.6929 512.90492 NaN 12 6 2 0.692933 -0.0534854118236581 0.809488 512.90495520209 0.486 11.938 0 71 99 -1 0 NaN 39916 0;22260.3510742188;17784.23046875;29117.2568359375;23510.40234375;23676.2021484375;16407.2314453125;0 22463.94140625;14630.0244140625 0 +BSA_min_23 MULTI 2 536.75864 1071.5027 536.75864 NaN 7 4 2 0.502733 -0.0301585950960543 2.417234 537.260567742501 0.538 8.245 0 81 99 -1 0 NaN 20734 0;10059.73046875;17937.884765625;15345.3635253906;6743.6416015625;0 8550.685546875;9387.19921875 0 +BSA_min_23 MULTI 1 540.2454 539.23812 540.2454 NaN 13 7 2 0.238123 -0.0499263233698457 0.563837 540.24532444786 0.534 13.784 0 65 99 -1 0 NaN 54847 0;19292.154296875;33630.6376953125;45071.564453125;42212.9580078125;52232.3701171875;38198.8251953125;16618.658203125;0 42008.1484375;10444.9345703125 0 +BSA_min_23 MULTI 3 554.21555 1659.6248 554.21555 NaN 5 3 2 0.624827 -0.178600502911195 2.438908 554.215830630924 0.563 6.087 0 87 99 -1 0 NaN 29237 0;5868.830078125;20817.412109375;14182.5805664063;0 13458.6064453125;7358.8056640625 0 +BSA_min_23 MULTI 1 555.36421 554.35693 555.36421 NaN 11 6 2 0.356931 0.0619270308284285 0.459428 555.364097382042 0.545 11.938 0 71 99 -1 0 NaN 91371 0;11953.4111328125;56464.546875;61339.1220703125;87016.013671875;81907.529296875;69299.189453125;0 66361.0859375;22625.541015625 0 +BSA_min_23 MULTI 2 557.78935 1113.5641 557.78935 NaN 6 4 2 0.564147 0.0119075165016511 2.421348 557.790434802409 0.587 8.245 0 81 99 -1 0 NaN 16272 0;5989.40087890625;6732.34521484375;11646.4931640625;13934.3364257813;0 7986.845703125;5947.49072265625 0 +BSA_min_23 MULTI 2 559.76878 1117.523 559.76878 NaN 23 12 2 0.523015 -0.0310453934680481 0.427681 559.768803208661 0.515 24.286 0 37 99 -1 0 NaN 67211 0;30329.0063476563;50724.841796875;38037.4775390625;23608.0405273438;19378.5034179688;16818.5107421875;26791.890625;53347.1015625;57557.26953125;40855.7099609375;44248.58984375;6340.10107421875;0 37219.31640625;20337.953125 1 83 0 +BSA_min_23 MULTI 2 582.76086 1163.5072 582.76086 NaN 8 4 2 0.507164 -0.0680497736839243 0.460671 582.760715553871 0.587 8.245 0 81 99 -1 0 NaN 108980 0;29966.9487304688;59326.3994140625;83047.06640625;92434.69921875;0 60649.01953125;31785.6796875 1 92 0 +BSA_min_23 MULTI 2 602.33276 1202.651 602.33276 NaN 7 6 2 0.650966 0.0577468625917845 1.790633 602.333558802656 0.548 11.938 0 71 99 -1 0 NaN 19364 0;5811.33935546875;6557.4794921875;7303.61962890625;9868.7724609375;15106.3935546875;5047.06591796875;0 9868.7724609375;6315.080078125 0 +BSA_min_23 MULTI 2 609.30165 1216.5887 609.30165 NaN 5 3 2 0.588746 -0.010884807340517 3.455607 609.801905531048 0.578 6.087 0 87 99 -1 0 NaN 18519 0;6848.39208984375;14504.1098632813;15519.5483398438;0 5654.28662109375;10022.16015625 0 +BSA_min_23 MULTI 2 626.82568 1251.6368 626.82568 NaN 8 5 2 0.636813 0.0210605159502393 0.897662 627.327160354538 0.556 10.085 0 75 99 -1 0 NaN 20467 0;7513.7216796875;15837.8994140625;13457.0910644531;10665.5668945313;6652.02783203125;0 7548.9072265625;10244.0595703125 0 +BSA_min_23 MULTI 3 635.60201 1903.7842 635.60201 NaN 11 4 3 0.784211 -0.131529739430107 0.794887 635.601854227925 0.587 8.245 0 81 99 -1 0 NaN 109400 0;11539.9194335938;49907.1435546875;64455.1904296875;94715.8671875;0 41372.8828125;37360.796875;15982.1875 1 93 0 +BSA_min_23 MULTI 2 722.29286 1442.5712 722.29286 NaN 11 4 3 0.571176 -0.132406498940327 0.529807 722.794557009268 0.587 8.245 0 81 99 -1 0 NaN 88555 0;19382.1572265625;29263.3842773438;56304.751953125;72047.59765625;0 31798.40625;40249.19140625;9051.69140625 2 94;97 0;0 +BSA_min_23 MULTI 2 731.29826 1460.582 731.29826 NaN 9 5 2 0.581963 -0.129905034647663 1.015729 731.799523381077 0.526 10.085 0 75 99 -1 0 NaN 29169 0;10700.2763671875;21935.4814453125;17981.1000976563;13056.220703125;17802.30078125;0 11073.208984375;11301.125 1 90 0 +BSA_min_23 MULTI 2 772.32634 1542.6381 772.32634 NaN 16 12 3 0.638121 -0.111492432172099 0.832583 772.326445295162 0.587 24.286 0 37 99 -1 0 NaN 48065 0;8672.376953125;7721.82470703125;8208.14233398438;8694.4599609375;12981.9775390625;10428.1220703125;10370.2294921875;9308.8408203125;12825.458984375;17852.220703125;30189.3129882813;24380.708984375;0 19063.345703125;15360.51953125;9020.189453125 0 +BSA_min_23 MULTI 3 776.67069 2326.9902 776.67069 NaN 7 3 3 0.990245 -0.120170237694765 2.142655 777.004331643663 0.571 6.087 0 87 99 -1 0 NaN 37194 0;6977.5546875;29906.751953125;25277;0 9063.5791015625;14645.7783203125;12678.326171875 0 +BSA_min_23 MULTI 1 837.43637 836.42909 837.43637 NaN 7 4 2 0.429093 0.0043357496634826 1.321128 837.436103089852 0.587 8.245 0 81 99 -1 0 NaN 73009 0;8795.1123046875;28166.4892578125;33590.7690429688;65961.154296875;0 53311.69140625;12649.462890625 0 +BSA_min_23 MULTI 2 882.84611 1763.6777 882.84611 NaN 12 7 3 0.677665 -0.17362702288824 0.483171 882.846072087715 0.563 13.784 0 65 99 -1 0 NaN 1179300 0;10685.890625;57645.44140625;185231.5625;292455.5625;750275.78125;1040647.75;871335.640625;0 494015.65625;379948.71875;166683.375 1 100 0 +BSA_min_23 MULTI 2 886.81224 1771.6099 886.81224 NaN 8 5 2 0.609919 -0.245021216350096 1.522474 887.31412154531 0.576 10.085 0 75 99 -1 0 NaN 29012 0;5249.1533203125;6298.3564453125;13226.2900390625;17856.4375;20045.5546875;0 8890.65234375;11784.896484375 0 +BSA_min_23 MULTI 1 899.44874 898.44146 899.44874 NaN 10 6 2 0.441463 -0.0118196933137824 0.473138 899.44868329937 0.563 11.938 0 71 99 -1 0 NaN 93356 0;10259.021484375;11104.9755859375;38988.1611328125;51494.2109375;83477.83203125;72926.943359375;0 61125.3359375;22352.49609375 0 +BSA_min_23 MULTI 2 973.90466 1945.7948 973.90466 NaN 7 4 2 0.794757 -0.14030840214582 1.357784 973.904958275679 0.587 8.245 0 81 99 -1 0 NaN 67032 0;22343.408203125;30602.4375;39709.193359375;30783.283203125;0 30783.283203125;12774.3359375 0 +BSA_min_23 MULTI 1 1012.4647 1011.4574 1012.4647 NaN 10 6 2 0.457396 -0.0478741148867812 0.66179 1012.46465963589 0.58 11.938 0 71 99 -1 0 NaN 45315 0;6566.83447265625;5892.9794921875;22179.6865234375;26302.4379882813;35693.482421875;39795.4755859375;0 31461.541015625;12683.193359375 0 +BSA_min_23 MULTI 2 1044.9323 2087.8501 1044.9323 NaN 6 4 2 0.850137 -0.150273671131799 1.779455 1045.43259299012 0.587 8.245 0 81 99 -1 0 NaN 22292 0;6181.01806640625;6017.2158203125;11961.13671875;13880.3842773438;0 6740.865234375;7139.51904296875 0 +BSA_min_23 MULTI 2 1074.9485 2147.8825 1074.9485 NaN 7 5 2 0.882505 -0.145520540587768 1.74705 1074.94713499826 0.56 10.085 0 75 99 -1 0 NaN 47904 0;7807.28466796875;5717.341796875;13474.2958984375;16493.6396484375;19157.744140625;0 13474.2958984375;10645.7109375 0 +BSA_min_23 MULTI 1 1164.5167 1163.5094 1164.5167 NaN 6 4 2 0.50944 -0.065774688654983 0.883473 1164.51651446826 0.569 8.245 0 81 99 -1 0 NaN 30247 0;5882.703125;19118.6171875;25656.2758789063;16791.0786132813;0 19902.078125;6989.12060546875 0 +BSA_min_23 MULTI 1 1177.4707 1176.4634 1177.4707 NaN 18 7 3 0.463421 -0.117752640125445 0.401898 1177.47052434449 0.565 13.784 0 65 99 -1 0 NaN 191160 0;13462.1650390625;32176.0517578125;66198.634765625;127578.37890625;153005.427734375;176360.41015625;148912.65625;0 107823.8203125;52374.53515625;18917.345703125 1 64 0 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/evidence.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/evidence.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Sequence Length Modifications Modified sequence Oxidation (M) Probabilities Oxidation (M) Score Diffs Oxidation (M) Missed cleavages Proteins Leading proteins Leading razor protein Type Raw file Experiment MS/MS m/z Charge m/z Mass Resolution Uncalibrated - Calibrated m/z [ppm] Uncalibrated - Calibrated m/z [Da] Mass error [ppm] Mass error [Da] Uncalibrated mass error [ppm] Uncalibrated mass error [Da] Max intensity m/z 0 Retention time Retention length Calibrated retention time Calibrated retention time start Calibrated retention time finish Retention time calibration Match time difference Match m/z difference Match q-value Match score Number of data points Number of scans Number of isotopic peaks PIF Fraction of total spectrum Base peak fraction PEP MS/MS count MS/MS scan number Score Delta score Combinatorics Intensity Reverse Potential contaminant id Protein group IDs Peptide ID Mod. peptide ID MS/MS IDs Best MS/MS AIF MS/MS IDs Oxidation (M) site IDs +DSFDIIK 7 Unmodified _DSFDIIK_ 0 0 CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 MULTI-MSMS BSA_min_23 BSA_min_23.mzXML 419.221313476563 2 419.221268 836.427984 NaN 0 0 0.54276 0.00022754 0.54276 0.00022754 419.22139467134 0.58669 0.13742 0.58669 0.46121 0.59862 0 11 4 3 0 0 0 0.010549 1 96 0 0 1 768320 + 0 2 0 0 0 0 +LLESEECR 8 Unmodified _LLESEECR_ 0 0 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 CON__Q14CN4-1 CON__Q14CN4-1 MSMS BSA_min_23 BSA_min_23.mzXML 518.238220214844 2 518.242406 1034.47026 NaN NaN NaN NaN NaN NaN NaN NaN 0.50957 1 0.50957 0.0095717 1.0096 0 0 0 0 0.0075205 1 86 1.6313 1.6313 1 + 1 5 1 1 1 1 +LVTDLTK 7 Unmodified _LVTDLTK_ 0 0 CON__P02769;bsa;CON__P02768-1 CON__P02769 CON__P02769 MSMS BSA_min_23 BSA_min_23.mzXML 395.239288330078 2 395.239461 788.46437 NaN NaN NaN NaN NaN NaN NaN NaN 0.010013 1 0.010013 -0.48999 0.51001 0 0 0 0 0.0046553 1 2 0 0 1 + 2 0 2 2 2 2 +QLELEKQLEK 10 Unmodified _QLELEKQLEK_ 0 1 CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 MULTI-SECPEP BSA_min_23 BSA_min_23.mzXML 419.221313476563 3 419.906482 1256.69762 NaN 0 0 0.052788 2.2166E-05 0.052788 2.2166E-05 419.9067499241 0.32847 0.47559 0.32847 0.12303 0.59862 0 25 14 2 0 0 0 0.011549 1 96 0 0 1 57554 + 3 1 3 3 3 3 +SLSAIRER 8 Unmodified _SLSAIRER_ 0 1 CON__Q03247 CON__Q03247 CON__Q03247 MULTI-SECPEP BSA_min_23 BSA_min_23.mzXML 465.766693115234 2 466.269616 930.524678 NaN 0 0 -3.0904 -0.0014409 -3.0904 -0.0014409 466.26850803291 0.10674 0.17216 0.10674 -0.014552 0.15761 0 6 4 2 0 0 0 0.011549 1 17 0 0 1 33499 + 4 4 4 4 4 4 +TLGPWGQR 8 Unmodified _TLGPWGQR_ 0 0 CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 MULTI-MSMS BSA_min_23 BSA_min_23.mzXML 457.746032714844 2 457.745776 913.477 NaN 0 0 -0.28456 -0.00013026 -0.28456 -0.00013026 457.745456355006 0.4547 0.40477 0.4547 0.19386 0.59862 -5.5511E-17 18 12 2 0 0 0 0.01108 1 72 0 0 1 61894 + 5 3 5 5 5 5 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/modificationSpecificPeptides.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/modificationSpecificPeptides.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Sequence Modifications Mass Mass Fractional Part Protein Groups Proteins Unique (Groups) Unique (Proteins) Oxidation (M) Missed cleavages Experiment BSA_min_23.mzXML Retention time Calibrated retention time Charges PEP MS/MS scan number Raw file Score Delta score Intensity Intensity BSA_min_23.mzXML Reverse Potential contaminant id Protein group IDs Peptide ID Evidence IDs MS/MS IDs Best MS/MS Oxidation (M) site IDs MS/MS Count +DSFDIIK Unmodified 836.42798 0.42798405 2 CON__ENSEMBL:ENSBTAP00000016046 yes yes 0 0 1 0.58669 0.58669 2 0.010549 96 BSA_min_23 0 0 768320 768320 + 0 2 0 0 0 0 1 +LLESEECR Unmodified 1034.4703 0.47025958 5 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 yes no 0 0 1 0.50957 0.50957 2 0.0075205 86 BSA_min_23 1.6313 1.6313 0 0 + 1 5 1 1 1 1 1 +LVTDLTK Unmodified 788.46437 0.46436956 0 CON__P02769;bsa;CON__P02768-1 yes no 0 0 1 0.010013 0.010013 2 0.0046553 2 BSA_min_23 0 0 0 0 + 2 0 2 2 2 2 1 +QLELEKQLEK Unmodified 1256.6976 0.69761697 1 CON__ENSEMBL:ENSBTAP00000001528 yes yes 0 1 1 0.32847 0.32847 3 0.011549 96 BSA_min_23 0 0 57554 57554 + 3 1 3 3 3 3 0 +SLSAIRER Unmodified 930.52468 0.52467841 4 CON__Q03247 yes yes 0 1 1 0.10674 0.10674 2 0.011549 17 BSA_min_23 0 0 33499 33499 + 4 4 4 4 4 4 0 +TLGPWGQR Unmodified 913.477 0.47699993 3 CON__ENSEMBL:ENSBTAP00000018574 yes yes 0 0 1 0.4547 0.4547 2 0.01108 72 BSA_min_23 0 0 61894 61894 + 5 3 5 5 5 5 1 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/msms.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/msms.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Raw file Scan number Scan index Sequence Length Missed cleavages Modifications Modified sequence Oxidation (M) Probabilities Oxidation (M) Score Diffs Oxidation (M) Proteins Charge Fragmentation Mass analyzer Type Scan event number Isotope index m/z Mass Mass error [ppm] Mass error [Da] Simple mass error [ppm] Retention time PEP Score Delta score Score diff Localization prob Combinatorics PIF Fraction of total spectrum Base peak fraction Precursor Full ScanNumber Precursor Intensity Precursor Apex Fraction Precursor Apex Offset Precursor Apex Offset Time Matches Intensities Mass Deviations [Da] Mass Deviations [ppm] Masses Number of Matches Intensity coverage Peak coverage Neutral loss level ETD identification type Reverse All scores All sequences All modified sequences id Protein group IDs Peptide ID Mod. peptide ID Evidence ID Oxidation (M) site IDs +BSA_min_23 96 77 DSFDIIK 7 0 Unmodified _DSFDIIK_ 0 CON__ENSEMBL:ENSBTAP00000016046 2 CID FTMS MULTI-MSMS 1 0 419.22127 836.42798 0.54276 0.00022754 NaN 0.57043 0.010549 0 0 NaN NaN 1 0 0 0 95 346270.625 0.704625040984097 -1 0.0243583333333334 0 0 0 None Unknown 0 DSFDIIK _DSFDIIK_ 0 2 0 0 0 +BSA_min_23 86 70 LLESEECR 8 0 Unmodified _LLESEECR_ 0 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 2 CID FTMS MSMS 5 518.24241 1034.4703 NaN NaN NaN 0.50957 0.0075205 1.6313 1.6313 NaN NaN 1 0 0 0 81 10271.2001953125 1 0 0 y6 11.7 0.0135096433999706 16.6930827476743 809.2958984375 1 0.00309955136349784 0.00847457627118644 None Unknown 1.63126590808724;0;0 LLESEECR;LGSDMEDLR;QLNQEMEK _LLESEECR_;_LGSDMEDLR_;_QLNQEM(ox)EK_ 1 5 1 1 1 +BSA_min_23 2 0 LVTDLTK 7 0 Unmodified _LVTDLTK_ 0 CON__P02769;bsa;CON__P02768-1 2 CID FTMS MSMS 1 395.23946 788.46437 NaN NaN NaN 0.010013 0.0046553 0 0 NaN NaN 1 0 0 0 -1 NaN NaN 0 NaN 0 0 0 None Unknown 0;0 LVTDLTK;DSLLTLK _LVTDLTK_;_DSLLTLK_ 2 0 2 2 2 +BSA_min_23 96 77 QLELEKQLEK 10 1 Unmodified _QLELEKQLEK_ 0 CON__ENSEMBL:ENSBTAP00000001528 3 CID FTMS MULTI-SECPEP 1 -2 419.90648 1256.6976 0.052788 2.2166E-05 NaN 0.57043 0.011549 0 0 NaN NaN 1 0 0 0 95 346270.625 0.704625040984097 -1 0.0243583333333334 0 0 0 None Unknown 0 QLELEKQLEK _QLELEKQLEK_ 3 1 3 3 3 +BSA_min_23 17 13 SLSAIRER 8 1 Unmodified _SLSAIRER_ 0 CON__Q03247 2 CID FTMS MULTI-SECPEP 4 -1 466.26962 930.52468 -3.0904 -0.0014409 NaN 0.096553 0.011549 0 0 NaN NaN 1 0 0 0 -1 NaN NaN 0 NaN 0 0 0 None Unknown 0 SLSAIRER _SLSAIRER_ 4 4 4 4 4 +BSA_min_23 72 58 TLGPWGQR 8 0 Unmodified _TLGPWGQR_ 0 CON__ENSEMBL:ENSBTAP00000018574 2 CID FTMS MULTI-MSMS 1 0 457.74578 913.477 -0.28456 -0.00013026 NaN 0.42593 0.01108 0 0 NaN NaN 1 0 0 0 71 32936.3203125 0.758644306612328 -2 0.0615566666666666 0 0 0 None Unknown 0;0 TLGPWGQR;IHVFNER _TLGPWGQR_;_IHVFNER_ 5 3 5 5 5 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/msmsScans.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/msmsScans.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,82 @@ +Raw file Scan number Retention time Ion injection time Total ion current Collision energy Summations Base peak intensity Elapsed time Identified MS/MS IDs Sequence Length Filtered peaks m/z Mass Charge Type Fragmentation Mass analyzer Parent intensity fraction Fraction of total spectrum Base peak fraction Precursor full scan number Precursor intensity Precursor apex fraction Precursor apex offset Precursor apex offset time Scan event number Modifications Modified sequence Proteins Score Experiment Intens Comp Factor CTCD Comp RawOvFtT AGC Fill Scan index MS scan index MS scan number +BSA_min_23 2 0.010013 -1 35863 35 0 0 -1 + 2 LVTDLTK 7 103 395.239288330078 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 Unmodified _LVTDLTK_ bsa;CON__P02768-1;CON__P02769 0 BSA_min_23.mzXML NaN NaN NaN 0 0 0 1 +BSA_min_23 3 0.01458 -1 30585 35 0 0 -1 - -1 0 164 552.918823242188 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 1 0 1 +BSA_min_23 4 0.020265 -1 11886 35 0 0 -1 - -1 0 126 676.387463660038 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 2 0 1 +BSA_min_23 5 0.025633 -1 12813 35 0 0 -1 - -1 0 146 751.810668945313 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 3 0 1 +BSA_min_23 6 0.031253 -1 10791 35 0 0 -1 - -1 0 124 670.800842285156 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 4 0 1 +BSA_min_23 8 0.044372 -1 7950.3 35 0 0 -1 - -1 0 111 456.581360511828 2733.44450427137 6 MULTI CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 5 1 7 +BSA_min_23 9 0.049315 -1 13730 35 0 0 -1 - -1 0 120 562.257629394531 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 6 1 7 +BSA_min_23 10 0.05446 -1 8774.7 35 0 0 -1 - -1 0 121 589.203410887949 588.196134421349 1 MULTI CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 7 1 7 +BSA_min_23 11 0.06018 -1 4436.2 35 0 0 -1 - -1 0 115 828.876770019531 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 8 1 7 +BSA_min_23 12 0.065908 -1 3625.8 35 0 0 -1 - -1 0 112 639.798400878906 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 9 1 7 +BSA_min_23 14 0.078957 -1 13236 35 0 0 -1 - -1 0 137 883.333059829652 1764.6515667261 2 MULTI CID FTMS 0 0 0 13 171569.53125 0.0583552615411773 -4 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 10 2 13 +BSA_min_23 15 0.084805 -1 6304.6 35 0 0 -1 - -1 0 120 602.8994140625 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 11 2 13 +BSA_min_23 16 0.090573 -1 12119 35 0 0 -1 - -1 0 135 648.602708784548 1942.78629695384 3 MULTI CID FTMS 0 0 0 13 52074.7734375 0.102435594507697 -16 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 12 2 13 +BSA_min_23 17 0.096553 -1 5932.3 35 0 0 -1 - -1 0 110 465.766693115234 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 13 2 13 +BSA_min_23 18 0.10154 -1 4161.5 35 0 0 -1 - -1 0 108 605.758117675781 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 14 2 13 +BSA_min_23 20 0.11439 -1 65173 35 0 0 -1 - -1 0 102 387.700285234344 NaN 0 PEAK CID FTMS 0 0 0 19 5176.81640625 0.231645826498235 -7 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 15 3 19 +BSA_min_23 21 0.11842 -1 33705 35 0 0 -1 - -1 0 123 430.226482307928 NaN 0 PEAK CID FTMS 0 0 0 19 7040.359375 0.343536017509867 -2 0.0701033333333334 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 16 3 19 +BSA_min_23 22 0.1234 -1 9502.6 35 0 0 -1 - -1 0 111 455.744353147131 NaN 0 PEAK CID FTMS 0 0 0 19 112493.5 0.827447086298523 -1 0.0355433333333333 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 17 3 19 +BSA_min_23 23 0.12833 -1 2553.5 35 0 0 -1 - -1 0 105 664.964606092136 1991.87198887661 3 MULTI CID FTMS 0 0 0 19 58531.14453125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 18 3 19 +BSA_min_23 24 0.13435 -1 5665.1 35 0 0 -1 - -1 0 93 441.716446446474 881.418339959749 2 MULTI CID FTMS 0 0 0 19 40583.5390625 0.581327680935085 -1 0.0355433333333333 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 19 3 19 +BSA_min_23 26 0.14696 -1 4965.5 35 0 0 -1 - -1 0 111 972.401410273474 1942.78826761375 2 MULTI CID FTMS 0 0 0 25 65218.546875 0.578387033725099 -12 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 20 4 25 +BSA_min_23 27 0.15284 -1 3538.8 35 0 0 -1 - -1 0 124 903.846651631555 1805.67875032991 2 MULTI CID FTMS 0 0 0 25 39216.41796875 1 0 0 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 21 4 25 +BSA_min_23 28 0.15869 -1 612.01 35 0 0 -1 - -1 0 40 931.328202121547 1860.64185130989 2 MULTI CID FTMS 0 0 0 25 32505.169921875 0.556008699617638 -3 0.102683333333333 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 22 4 25 +BSA_min_23 29 0.16448 -1 3712.5 35 0 0 -1 - -1 0 134 730.799031095722 1459.58350925824 2 MULTI CID FTMS 0 0 0 25 39553.00390625 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 23 4 25 +BSA_min_23 30 0.17003 -1 5047.2 35 0 0 -1 - -1 0 108 585.918893568188 1754.73485130476 3 MULTI CID FTMS 0 0 0 25 27986.6171875 0.487805831250134 -2 0.0681233333333334 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 24 4 25 +BSA_min_23 32 0.18323 -1 3672.2 35 0 0 -1 - -1 0 95 597.209739443197 NaN 0 PEAK CID FTMS 0 0 0 31 45858.6953125 0.706827549584025 -2 0.0691516666666667 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 25 5 31 +BSA_min_23 33 0.18901 -1 10554 35 0 0 -1 - -1 0 112 487.53462335476 1459.58204066448 3 MULTI CID FTMS 0 0 0 31 17205.21875 0.534308072152896 2 -0.07205 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 26 5 31 +BSA_min_23 34 0.19399 -1 794.02 35 0 0 -1 - -1 0 53 931.328202121547 1860.64185130989 2 MULTI CID FTMS 0 0 0 31 40352.77734375 0.775544041279623 -1 0.0365716666666666 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 27 5 31 +BSA_min_23 35 0.19977 -1 6966.5 35 0 0 -1 - -1 0 119 622.281005859375 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 28 5 31 +BSA_min_23 36 0.20575 -1 2000.1 35 0 0 -1 - -1 0 122 843.968139648438 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 29 5 31 +BSA_min_23 38 0.21916 -1 3920.8 35 0 0 -1 - -1 0 120 703.140521860943 4212.79947236606 6 MULTI CID FTMS 0 0 0 37 38276.57421875 1 0 0 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 30 6 37 +BSA_min_23 39 0.22523 -1 7753.4 35 0 0 -1 - -1 0 121 542.752915907862 NaN 0 PEAK CID FTMS 0 0 0 37 7960.71728515625 0.810623529138009 -1 0.0359233333333333 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 31 6 37 +BSA_min_23 40 0.23041 -1 2121.2 35 0 0 -1 - -1 0 108 686.596525404719 2056.76774681436 3 MULTI CID FTMS 0 0 0 37 47932.00390625 1 0 0 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 32 6 37 +BSA_min_23 41 0.23643 -1 2589.1 35 0 0 -1 - -1 0 110 592.559742773291 1774.65739892007 3 MULTI CID FTMS 0 0 0 37 51832.45703125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 33 6 37 +BSA_min_23 42 0.24218 -1 6786.4 35 0 0 -1 - -1 0 114 558.888078141406 1673.64240502442 3 MULTI CID FTMS 0 0 0 37 50127.9140625 0.805054408903464 -3 0.105075 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 34 6 37 +BSA_min_23 44 0.25533 -1 3829.3 35 0 0 -1 - -1 0 126 808.753845214844 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 35 7 43 +BSA_min_23 45 0.26131 -1 2056.8 35 0 0 -1 - -1 0 95 686.596525404719 2056.76774681436 3 MULTI CID FTMS 0 0 0 43 42148.32421875 1 0 0 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 36 7 43 +BSA_min_23 46 0.26732 -1 4217.2 35 0 0 -1 - -1 0 115 703.140521860943 4212.79947236606 6 MULTI CID FTMS 0 0 0 43 34525.390625 0.901997927706068 1 -0.0366366666666667 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 37 7 43 +BSA_min_23 47 0.27336 -1 4417.5 35 0 0 -1 - -1 0 112 674.296931013294 NaN 0 PEAK CID FTMS 0 0 0 43 36233.25 0.312245808501738 -5 0.176745 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 38 7 43 +BSA_min_23 48 0.27939 -1 4893.8 35 0 0 -1 - -1 0 114 525.286926269531 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 39 7 43 +BSA_min_23 50 0.29214 -1 2694.3 35 0 0 -1 - -1 0 118 844.169032154843 4215.80877844122 5 MULTI CID FTMS 0 0 0 49 18802.0625 1 0 0 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 40 8 49 +BSA_min_23 51 0.29815 -1 4123.5 35 0 0 -1 - -1 0 123 674.296931013294 NaN 0 PEAK CID FTMS 0 0 0 49 37438.125 0.322629010906119 -4 0.145258333333333 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 41 8 49 +BSA_min_23 52 0.30417 -1 2801.3 35 0 0 -1 - -1 0 103 629.356568937177 1256.69858494115 2 MULTI CID FTMS 0 0 0 49 47581.3515625 1 0 0 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 42 8 49 +BSA_min_23 53 0.30942 -1 3120.2 35 0 0 -1 - -1 0 121 747.856093035124 1493.69763313705 2 MULTI CID FTMS 0 0 0 49 27482.5703125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 43 8 49 +BSA_min_23 54 0.31497 -1 1089.3 35 0 0 -1 - -1 0 87 1177.44225204557 3529.3049267369 3 MULTI CID FTMS 0 0 0 49 22208.09765625 0.573548719035153 2 -0.0722016666666667 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 44 8 49 +BSA_min_23 56 0.32853 -1 4609.2 35 0 0 -1 - -1 0 134 808.5537109375 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 45 9 55 +BSA_min_23 57 0.33454 -1 4781 35 0 0 -1 - -1 0 114 491.773453701772 981.532354470344 2 MULTI CID FTMS 0 0 0 55 66131.3984375 1 0 0 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 46 9 55 +BSA_min_23 58 0.33958 -1 3940 35 0 0 -1 - -1 0 120 674.296931013294 NaN 0 PEAK CID FTMS 0 0 0 55 46957.76171875 0.404665998035039 -3 0.10925 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 47 9 55 +BSA_min_23 59 0.34561 -1 5227 35 0 0 -1 - -1 0 94 517.743469238281 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 48 9 55 +BSA_min_23 60 0.35072 -1 3062.2 35 0 0 -1 - -1 0 101 664.964606092136 1991.87198887661 3 MULTI CID FTMS 0 0 0 55 33396.828125 0.665850940487736 5 -0.158593333333333 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 49 9 55 +BSA_min_23 62 0.36446 -1 6953.5 35 0 0 -1 - -1 0 98 460.254338656322 459.247062189722 1 MULTI CID FTMS 0 0 0 61 110063.5625 0.350472556233784 3 -0.0859683333333334 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 50 10 61 +BSA_min_23 63 0.36944 -1 3605.8 35 0 0 -1 - -1 0 128 700.332580566406 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 51 10 61 +BSA_min_23 64 0.37486 -1 1611.8 35 0 0 -1 - -1 0 101 1177.47069699992 1176.46342053332 1 MULTI CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 52 10 61 +BSA_min_23 66 0.3885 -1 5670 35 0 0 -1 - -1 0 100 622.5341796875 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 53 11 65 +BSA_min_23 67 0.39452 -1 3085.9 35 0 0 -1 - -1 0 115 594.556274414063 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 54 11 65 +BSA_min_23 68 0.40026 -1 1992.2 35 0 0 -1 - -1 0 96 686.596525404719 2056.76774681436 3 MULTI CID FTMS 0 0 0 65 21625.0703125 0.451161406787757 5 -0.157466666666667 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 55 11 65 +BSA_min_23 69 0.40626 -1 1117.7 35 0 0 -1 - -1 0 76 1173.07641144645 2344.1382699597 2 MULTI CID FTMS 0 0 0 65 24950.53125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 56 11 65 +BSA_min_23 70 0.41227 -1 2287.8 35 0 0 -1 - -1 0 138 1177.58276971623 2353.15098649927 2 MULTI CID FTMS 0 0 0 65 8500.6943359375 0.643644763729794 1 -0.0373533333333333 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 57 11 65 +BSA_min_23 72 0.42593 -1 5725.3 35 0 0 -1 + 5 TLGPWGQR 8 96 457.745646177304 913.476739421408 2 MULTI CID FTMS 0 0 0 71 32936.3203125 0.758644306612328 -2 0.0615566666666666 1 Unmodified _TLGPWGQR_ CON__ENSEMBL:ENSBTAP00000018574 0 BSA_min_23.mzXML NaN NaN NaN 0 58 12 71 +BSA_min_23 73 0.43088 -1 1163.3 35 0 0 -1 - -1 0 65 1010.44003116945 4037.73101881139 4 MULTI CID FTMS 0 0 0 71 15265.9873046875 0.567392976805677 -2 0.0615566666666666 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 59 12 71 +BSA_min_23 74 0.43685 -1 4314.7 35 0 0 -1 - -1 0 113 585.918893568188 1754.73485130476 3 MULTI CID FTMS 0 0 0 71 21487.865234375 0.45287833588482 6 -0.168346666666667 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 60 12 71 +BSA_min_23 76 0.45047 -1 8334.6 35 0 0 -1 - -1 0 119 447.536449992962 1339.58752057909 3 MULTI CID FTMS 0 0 0 75 40469.671875 0.9140992180924 1 -0.0369099999999999 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 61 13 75 +BSA_min_23 77 0.45584 -1 4436.9 35 0 0 -1 - -1 0 95 597.066144900786 2980.29434217093 5 MULTI CID FTMS 0 0 0 75 33103.19921875 0.991897253233573 1 -0.0369099999999999 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 62 13 75 +BSA_min_23 78 0.46188 -1 2747.5 35 0 0 -1 - -1 0 106 664.964606092136 1991.87198887661 3 MULTI CID FTMS 0 0 0 75 18094.236328125 0.676187560804335 3 -0.0957016666666666 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 63 13 75 +BSA_min_23 79 0.46792 -1 3792.1 35 0 0 -1 - -1 0 127 782.86823361998 1563.72191430676 2 MULTI CID FTMS 0 0 0 75 24751.693359375 0.989113548898297 -1 0.0244116666666667 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 64 13 75 +BSA_min_23 80 0.4736 -1 1227.2 35 0 0 -1 - -1 0 96 1173.07641144645 2344.1382699597 2 MULTI CID FTMS 0 0 0 75 23081.546875 1 0 0 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 65 13 75 +BSA_min_23 82 0.48722 -1 6556.1 35 0 0 -1 - -1 0 116 629.356568937177 1256.69858494115 2 MULTI CID FTMS 0 0 0 81 28788.931640625 1 0 0 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 66 14 81 +BSA_min_23 83 0.4925 -1 6615.3 35 0 0 -1 - -1 0 116 559.768784063361 1117.52301519352 2 MULTI CID FTMS 0 0 0 81 35334.84765625 0.949368528711517 -1 0.0369099999999999 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 67 14 81 +BSA_min_23 84 0.49762 -1 6183.7 35 0 0 -1 - -1 0 125 972.401410273474 1942.78826761375 2 MULTI CID FTMS 0 0 0 81 19756.91796875 0.347354270628424 7 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 68 14 81 +BSA_min_23 85 0.50353 -1 3559.8 35 0 0 -1 - -1 0 116 681.999313403946 2042.97611081204 3 MULTI CID FTMS 0 0 0 81 11550.4775390625 0.629091502669348 2 -0.0587916666666667 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 69 14 81 +BSA_min_23 86 0.50957 -1 5114.2 35 0 0 -1 + 1 LLESEECR 8 118 518.240989833781 NaN 0 PEAK CID FTMS 0 0 0 81 10271.2001953125 1 0 0 5 Unmodified _LLESEECR_ CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 1.63126590808724 BSA_min_23.mzXML NaN NaN NaN 0 70 14 81 +BSA_min_23 88 0.52259 -1 44411 35 0 0 -1 - -1 0 134 385.207382835291 384.200106368691 1 MULTI CID FTMS 0 0 0 87 5929296.5 0.739051055541228 -3 0.0963616666666667 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 71 15 87 +BSA_min_23 89 0.52681 -1 3749.8 35 0 0 -1 - -1 0 100 597.066144900786 2980.29434217093 5 MULTI CID FTMS 0 0 0 87 19359.11328125 0.820197080002651 2 -0.04811 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 72 15 87 +BSA_min_23 90 0.53279 -1 3364.5 35 0 0 -1 - -1 0 128 731.29825780069 1460.58196266818 2 MULTI CID FTMS 0 0 0 87 10634.3564453125 0.960368079417471 -1 0.0350400000000001 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 73 15 87 +BSA_min_23 92 0.54611 -1 4680.5 35 0 0 -1 - -1 0 116 582.760858227368 1163.50716352154 2 MULTI CID FTMS 0 0 0 91 46220.83984375 0.762103661377976 -2 0.0587916666666667 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 74 16 91 +BSA_min_23 93 0.55132 -1 3773.2 35 0 0 -1 - -1 0 106 635.60201346581 1903.78421099763 3 MULTI CID FTMS 0 0 0 91 24284.580078125 0.586968526901584 -2 0.0587916666666667 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 75 16 91 +BSA_min_23 94 0.55721 -1 4670.5 35 0 0 -1 - -1 0 143 722.292864587666 1442.57117624213 2 MULTI CID FTMS 0 0 0 91 14970.0166015625 0.470778833500893 -2 0.0587916666666667 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 76 16 91 +BSA_min_23 96 0.57043 -1 15235 35 0 0 -1 + 0 DSFDIIK 7 110 419.22149602984 836.428439126479 2 MULTI CID FTMS 0 0 0 95 346270.625 0.704625040984097 -1 0.0243583333333334 1 Unmodified _DSFDIIK_ CON__ENSEMBL:ENSBTAP00000016046 0 BSA_min_23.mzXML NaN NaN NaN 0 77 17 95 +BSA_min_23 97 0.57533 -1 4806.4 35 0 0 -1 - -1 0 129 722.292864587666 1442.57117624213 2 MULTI CID FTMS 0 0 0 95 26752.708984375 0.841322322069994 -1 0.0243583333333334 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 78 17 95 +BSA_min_23 98 0.58084 -1 3667 35 0 0 -1 - -1 0 113 595.224647156549 NaN 0 PEAK CID FTMS 0 0 0 95 6964.16259765625 0.341923515563021 -1 0.0243583333333334 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 79 17 95 +BSA_min_23 100 0.59414 -1 44171 35 0 0 -1 - -1 0 176 882.846108818038 1763.67766470288 2 MULTI CID FTMS 0 0 0 99 379571.375 0.768338756470332 1 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 80 18 99 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/mzRange.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/mzRange.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,1881 @@ +Raw file m/z Peaks / Da Single peaks / Da Isotope patterns / Da Single isotope patterns / Da SILAC pairs / Da Identified SILAC pairs / Da SILAC identification rate [%] MS/MS / Da Identified MS/MS / Da Identification rate [%] +BSA_min_23 111.199897766113 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 112.199897766113 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 113.199897766113 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 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0 0 0 0 NaN 0 0 +BSA_min_23 1979.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1980.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1981.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1982.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1983.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1984.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1985.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1986.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1987.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1988.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1989.19989776611 0 0 0 0 0 0 NaN 0 0 +BSA_min_23 1990.19989776611 0 0 0 0 0 0 NaN 0 0 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/mzTab.mzTab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/mzTab.mzTab Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,45 @@ +MTD mzTab-version 1.0.0 +MTD mzTab-mode Complete +MTD mzTab-type Identification +MTD title null +MTD description null +MTD software[1] [MS, MS:1001583, MaxQuant,1.6.3.4] +COM [, CHEMMOD:57.0214637236, Carbamidomethyl (C),] +MTD fixed_mod[1] [, , CHEMMOD:57.0214637236,] +MTD fixed_mod[1]-site C +MTD fixed_mod[1]-position Anywhere +COM [, CHEMMOD:15.9949146221, Oxidation (M),] +MTD variable_mod[1] [, , CHEMMOD:15.9949146221,] +MTD variable_mod[1]-site M +MTD variable_mod[1]-position Anywhere +MTD protein_search_engine_score[1] [MS, MS:1002375, protein group-level combined FDRscore, ] +MTD peptide_search_engine_score[1] [MS, MS:1001250, local FDR, ] +MTD psm_search_engine_score[1] [MS, MS:1002338, Andromeda:score, ] +MTD psm_search_engine_score[2] [MS, MS:1002995, Andromeda:PEP, ] +MTD ms_run[1]-format [MS, MS:1002996, Andromeda:apl file format, ] +MTD ms_run[1]-location file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.secpep.sil0_0.apl +MTD ms_run[1]-id_format [MS, MS:1000776, scan number only nativeID format, ] +MTD ms_run[2]-format [MS, MS:1002996, Andromeda:apl file format, ] +MTD ms_run[2]-location file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.iso_0.apl +MTD ms_run[2]-id_format [MS, MS:1000776, scan number only nativeID format, ] + +PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] search_engine_score[1]_ms_run[2] num_psms_ms_run[1] num_psms_ms_run[2] num_peptides_distinct_ms_run[1] num_peptides_distinct_ms_run[2] num_peptides_unique_ms_run[1] num_peptides_unique_ms_run[2] ambiguity_members modifications protein_coverage opt_global_cv_MS:1002217_decoy_peptide +PRT CON__P02769 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 6.33205607832812 null null null null null null null null CON__P02769, bsa, CON__P02768-1 null 0.012 0 +PRT CON__ENSEMBL:ENSBTAP00000001528 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.93746772688895 null null null null null null null null CON__ENSEMBL:ENSBTAP00000001528 null 0.008 0 +PRT CON__ENSEMBL:ENSBTAP00000016046 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.97677849538172 null null null null null null null null CON__ENSEMBL:ENSBTAP00000016046 null 0.01 0 +PRT CON__ENSEMBL:ENSBTAP00000018574 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.95544937626172 null null null null null null null null CON__ENSEMBL:ENSBTAP00000018574 null 0.016 0 +PRT CON__Q03247 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.93746772688895 null null null null null null null null CON__Q03247 null 0.025 0 +PRT CON__Q14CN4-1 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 6.1237531147968 null null null null null null null null CON__Q14CN4-1, CON__Q3SY84, CON__Q9R0H5 null 0.016 0 + +PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] search_engine_score[2] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_global_cv_MS:1000776_scan_number_only_nativeID_format opt_global_cv_MS:1002217_decoy_peptide +PSM DSFDIIK 1 CON__ENSEMBL:ENSBTAP00000016046 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.010549248059121 null 0.570428333333333 2 419.22 419.22127 ms_run[2]:index=5 R R 646 652 96 0 +PSM LLESEECR 2 CON__Q14CN4-1 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 1.63126590808724 0.00752050293704335 null 0.509571666666667 2 518.24 518.24241 ms_run[2]:index=13 K M 430 437 86 0 +PSM LLESEECR 2 CON__Q3SY84 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 1.63126590808724 0.00752050293704335 null 0.509571666666667 2 518.24 518.24241 ms_run[2]:index=13 K M 430 437 86 0 +PSM LLESEECR 2 CON__Q9R0H5 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 1.63126590808724 0.00752050293704335 null 0.509571666666667 2 518.24 518.24241 ms_run[2]:index=13 K M 430 437 86 0 +PSM LVTDLTK 3 CON__P02769 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.00465525978542915 null 0.0100133333333333 2 395.24 395.23946 ms_run[2]:index=4 K V 257 263 2 0 +PSM LVTDLTK 3 bsa 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.00465525978542915 null 0.0100133333333333 2 395.24 395.23946 ms_run[2]:index=4 K V 257 263 2 0 +PSM LVTDLTK 3 CON__P02768-1 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.00465525978542915 null 0.0100133333333333 2 395.24 395.23946 ms_run[2]:index=4 K V 257 263 2 0 +PSM QLELEKQLEK 4 CON__ENSEMBL:ENSBTAP00000001528 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.0115486780155693 null 0.570428333333333 3 419.91 419.90648 ms_run[1]:index=5 R Q 408 417 96 0 +PSM SLSAIRER 5 CON__Q03247 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.0115486780155693 null 0.0965533333333333 2 466.27 466.26962 ms_run[1]:index=2 R F 190 197 17 0 +PSM TLGPWGQR 6 CON__ENSEMBL:ENSBTAP00000018574 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.0110802771561295 null 0.425933333333333 2 457.75 457.74578 ms_run[2]:index=9 R D 20 27 72 0 + diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/parameters.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/parameters.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,105 @@ +Parameter Value +Version 1.6.3.4 +User name dglaetzer +Machine name FPROT-BEAST +Date of writing 04/04/2019 17:32:37 +Include contaminants True +PSM FDR 0.01 +PSM FDR Crosslink 0.01 +Protein FDR 0.01 +Site FDR 0.01 +Use Normalized Ratios For Occupancy True +Min. peptide Length 7 +Min. score for unmodified peptides 0 +Min. score for modified peptides 40 +Min. delta score for unmodified peptides 0 +Min. delta score for modified peptides 6 +Min. unique peptides 0 +Min. razor peptides 1 +Min. peptides 1 +Use only unmodified peptides and True +Modifications included in protein quantification Oxidation (M) +Peptides used for protein quantification Razor +Discard unmodified counterpart peptides True +Label min. ratio count 2 +Use delta score False +iBAQ False +iBAQ log fit False +Match between runs False +Find dependent peptides False +Fasta file D:\fasta\bsa.fasta +Decoy mode revert +Include contaminants True +Advanced ratios True +Fixed andromeda index folder +Temporary folder +Combined folder location +Second peptides True +Stabilize large LFQ ratios True +Separate LFQ in parameter groups False +Require MS/MS for LFQ comparisons True +Calculate peak properties False +Main search max. combinations 200 +Advanced site intensities True +Write msScans table False +Write msmsScans table True +Write ms3Scans table True +Write allPeptides table True +Write mzRange table True +Write pasefMsmsScans table True +Write accumulatedPasefMsmsScans table True +Max. peptide mass [Da] 4600 +Min. peptide length for unspecific search 8 +Max. peptide length for unspecific search 25 +Razor protein FDR True +Disable MD5 False +Max mods in site table 3 +Match unidentified features False +Epsilon score for mutations +Evaluate variant peptides separately True +Variation mode None +MS/MS tol. (FTMS) 20 ppm +Top MS/MS peaks per Da interval. (FTMS) 12 +Da interval. (FTMS) 100 +MS/MS deisotoping (FTMS) True +MS/MS deisotoping tolerance (FTMS) 7 +MS/MS deisotoping tolerance unit (FTMS) ppm +MS/MS higher charges (FTMS) True +MS/MS water loss (FTMS) True +MS/MS ammonia loss (FTMS) True +MS/MS dependent losses (FTMS) True +MS/MS recalibration (FTMS) False +MS/MS tol. (ITMS) 0.5 Da +Top MS/MS peaks per Da interval. (ITMS) 8 +Da interval. (ITMS) 100 +MS/MS deisotoping (ITMS) False +MS/MS deisotoping tolerance (ITMS) 0.15 +MS/MS deisotoping tolerance unit (ITMS) Da +MS/MS higher charges (ITMS) True +MS/MS water loss (ITMS) True +MS/MS ammonia loss (ITMS) True +MS/MS dependent losses (ITMS) True +MS/MS recalibration (ITMS) False +MS/MS tol. (TOF) 40 ppm +Top MS/MS peaks per Da interval. (TOF) 10 +Da interval. (TOF) 100 +MS/MS deisotoping (TOF) True +MS/MS deisotoping tolerance (TOF) 0.01 +MS/MS deisotoping tolerance unit (TOF) Da +MS/MS higher charges (TOF) True +MS/MS water loss (TOF) True +MS/MS ammonia loss (TOF) True +MS/MS dependent losses (TOF) True +MS/MS recalibration (TOF) False +MS/MS tol. (Unknown) 0.5 Da +Top MS/MS peaks per Da interval. (Unknown) 8 +Da interval. (Unknown) 100 +MS/MS deisotoping (Unknown) False +MS/MS deisotoping tolerance (Unknown) 0.15 +MS/MS deisotoping tolerance unit (Unknown) Da +MS/MS higher charges (Unknown) True +MS/MS water loss (Unknown) True +MS/MS ammonia loss (Unknown) True +MS/MS dependent losses (Unknown) True +MS/MS recalibration (Unknown) False +Site tables Oxidation (M)Sites.txt diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/peptideSection.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/peptideSection.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +PEH sequence accession unique database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[0] modifications retention_time retention_time_window charge mass_to_charge spectra_ref peptide_abundance_study_variable[0] peptide_abundance_stdev_study_variable[0] peptide_abundance_std_error_study_variable[0] +PEP DSFDIIK null +PEP LLESEECR null +PEP LVTDLTK null +PEP QLELEKQLEK null +PEP SLSAIRER null +PEP TLGPWGQR null diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/peptides.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/peptides.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Sequence N-term cleavage window C-term cleavage window Amino acid before First amino acid Second amino acid Second last amino acid Last amino acid Amino acid after A Count R Count N Count D Count C Count Q Count E Count G Count H Count I Count L Count K Count M Count F Count P Count S Count T Count W Count Y Count V Count U Count O Count Length Missed cleavages Mass Proteins Leading razor protein Start position End position Unique (Groups) Unique (Proteins) Charges PEP Score Experiment BSA_min_23.mzXML Intensity Intensity BSA_min_23.mzXML Reverse Potential contaminant id Protein group IDs Mod. peptide IDs Evidence IDs MS/MS IDs Best MS/MS Oxidation (M) site IDs MS/MS Count +DSFDIIK NHADIIFDITDGNLRDSFDIIKRYMDGMTV DITDGNLRDSFDIIKRYMDGMTVGVVRQVR R D S I K R 0 0 0 2 0 0 0 0 0 2 0 1 0 1 0 1 0 0 0 0 0 0 7 0 836.42798 CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 646 652 yes yes 2 0.010549 0 1 768320 768320 + 0 2 0 0 0 0 1 +LLESEECR SLKLALDMEIATYRKLLESEECRMSGEYPN EIATYRKLLESEECRMSGEYPNSVSISVIS K L L C R M 0 1 0 0 1 0 3 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 8 0 1034.4703 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 CON__Q14CN4-1 430 437 yes no 2 0.0075205 1.6313 1 0 0 + 1 5 1 1 1 1 1 +LVTDLTK LSQKFPKAEFVEVTKLVTDLTKVHKECCHG AEFVEVTKLVTDLTKVHKECCHGDLLECAD K L V T K V 0 0 0 1 0 0 0 0 0 0 2 1 0 0 0 0 2 0 0 1 0 0 7 0 788.46437 CON__P02769;bsa;CON__P02768-1 CON__P02769 257 263 yes no 2 0.0046553 0 1 0 0 + 2 0 2 2 2 2 1 +QLELEKQLEK QERKERERQEQERKRQLELEKQLEKQRELE QERKRQLELEKQLEKQRELERQREEERRKE R Q L E K Q 0 0 0 0 0 2 3 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 10 1 1256.6976 CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 408 417 yes yes 3 0.011549 0 1 57554 57554 + 3 1 3 3 3 3 0 +SLSAIRER RLAVYQAGASEGAERSLSAIRERFGPLVEQ ASEGAERSLSAIRERFGPLVEQGQSRAATL R S L E R F 1 2 0 0 0 0 1 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 8 1 930.52468 CON__Q03247 CON__Q03247 190 197 yes yes 2 0.011549 0 1 33499 33499 + 4 4 4 4 4 4 0 +TLGPWGQR LRPLLLALLLASACRTLGPWGQRDDGGGEP LLASACRTLGPWGQRDDGGGEPESMEPRWG R T L Q R D 0 1 0 0 0 1 0 2 0 0 1 0 0 0 1 0 1 1 0 0 0 0 8 0 913.477 CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 20 27 yes yes 2 0.01108 0 1 61894 61894 + 5 3 5 5 5 5 1 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/proteinGroups.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/proteinGroups.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Protein IDs Majority protein IDs Peptide counts (all) Peptide counts (razor+unique) Peptide counts (unique) Fasta headers Number of proteins Peptides Razor + unique peptides Unique peptides Peptides BSA_min_23.mzXML Razor + unique peptides BSA_min_23.mzXML Unique peptides BSA_min_23.mzXML Sequence coverage [%] Unique + razor sequence coverage [%] Unique sequence coverage [%] Mol. weight [kDa] Sequence length Sequence lengths Q-value Score Sequence coverage BSA_min_23.mzXML [%] Intensity Intensity BSA_min_23.mzXML MS/MS count Only identified by site Reverse Potential contaminant id Peptide IDs Peptide is razor Mod. peptide IDs Evidence IDs MS/MS IDs Best MS/MS Oxidation (M) site IDs Oxidation (M) site positions +CON__P02769;bsa;CON__P02768-1 CON__P02769;bsa;CON__P02768-1 1;1;1 1;1;1 1;1;1 ;bsa sp|P02769|ALBU_BOVIN Serum albumin OS=Bos taurus OX=9913 GN=ALB PE=1 SV=4; 3 1 1 1 1 1 1 1.2 1.2 1.2 69.293 607 607;607;609 0 6.3321 1.2 0 0 1 + 0 2 True 2 2 2 2 +CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 1 1 1 1 1 1 1 1 1 1 0.8 0.8 0.8 137.98 1222 1222 0 5.9375 0.8 57554 57554 0 + 1 3 True 3 3 3 3 +CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 1 1 1 1 1 1 1 1 1 1 1 1 1 77.456 706 706 0 5.9768 1 768320 768320 1 + 2 0 True 0 0 0 0 +CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 1 1 1 1 1 1 1 1 1 1 1.6 1.6 1.6 55.207 496 496 0 5.9554 1.6 61894 61894 1 + 3 5 True 5 5 5 5 +CON__Q03247 CON__Q03247 1 1 1 1 1 1 1 1 1 1 2.5 2.5 2.5 35.979 316 316 0 5.9375 2.5 33499 33499 0 + 4 4 True 4 4 4 4 +CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 1;1;1 1;1;1 1;1;1 ;; 3 1 1 1 1 1 1 1.6 1.6 1.6 55.877 511 511;523;524 0 6.1238 1.6 0 0 1 + 5 1 True 1 1 1 1 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/combined/txt/summary.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/summary.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,3 @@ +Raw file Experiment Enzyme Enzyme mode Enzyme first search Enzyme mode first search Use enzyme first search Variable modifications Fixed modifications Multi modifications Variable modifications first search Use variable modifications first search Requantify Multiplicity Max. missed cleavages Labels0 LC-MS run type Time-dependent recalibration MS MS/MS MS3 MS/MS Submitted MS/MS Submitted (SIL) MS/MS Submitted (ISO) MS/MS Submitted (PEAK) MS/MS Identified MS/MS Identified (SIL) MS/MS Identified (ISO) MS/MS Identified (PEAK) MS/MS Identified [%] MS/MS Identified (SIL) [%] MS/MS Identified (ISO) [%] MS/MS Identified (PEAK) [%] Peptide Sequences Identified Peaks Peaks Sequenced Peaks Sequenced [%] Peaks Repeatedly Sequenced Peaks Repeatedly Sequenced [%] Isotope Patterns Isotope Patterns Sequenced Isotope Patterns Sequenced (z>1) Isotope Patterns Sequenced [%] Isotope Patterns Sequenced (z>1) [%] Isotope Patterns Repeatedly Sequenced Isotope Patterns Repeatedly Sequenced [%] Recalibrated Av. Absolute Mass Deviation [ppm] Mass Standard Deviation [ppm] Av. Absolute Mass Deviation [mDa] Mass Standard Deviation [mDa] +BSA_min_23 BSA_min_23.mzXML Trypsin/P Specific False Oxidation (M) Carbamidomethyl (C) False False 1 1 Standard 19 81 0 111 51 0 60 4 2 0 2 3.6 3.92 NaN 3.33 6 1201 57 4.75 4 7.02 165 39 35 23.64 26.52 10 25.64 + 0.41463 0.43436 0.1789 0.18539 +Total 19 81 0 111 51 0 60 4 2 0 2 3.6 3.92 NaN 3.33 6 1201 165 39 35 23.64 26.52 10 25.64 0.41463 0.43436 0.1789 0.18539 diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/single/mqpar.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/mqpar.xml Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,426 @@ + + + + + D:\fasta\bsa.fasta + >([^\s]*) + >(.*) + + + + + + + + + + + + 350000 + True + 0.005 + False + False + False + False + True + True + revert + all + True + 4600 + True + True + True + 0 + 6 + 0 + 40 + True + False + False + False + False + 0 + 0 + False + False + False + False + 0 + False + False + False + False + False + False + Species + False + 3 + False + True + False + True + False + False + + + + 7 + 0.01 + 0.01 + 0.01 + 0.01 + 8 + 25 + True + 1 + 1 + 0 + False + True + False + + 2 + True + + Oxidation (M) + + 0 + 0 + 25 + 15 + 0 + 1 + + + 200 + False + True + True + True + True + True + True + True + False + True + False + True + False + 0 + 20 + + none + False + session1 + 1.6.3.4 + + + 1 + + + + + -1.79589544172745E+308 + 1.79589544172745E+308 + False + False + False + False + False + False + False + + D:\shared\dglaetzer\maxquant_tool\test1\BSA_min_23.mzXML + + + BSA_min_23.mzXML + + + 32767 + + + False + + + 0 + + + + + + + 0 + 7 + 2 + False + False + True + 1 + NaN + NaN + MatchFromAndTo + 0 + 8 + True + 35 + True + 1.4 + 1.2 + False + 0 + + + + Standard + False + 0 + False + 3 + 6 + 100000 + 0 + 0 + False + False + True + False + 2 + 0 + 5 + 1 + 1 + 0 + 0 + 0 + 0 + + Carbamidomethyl (C) + + + Trypsin/P + + + + 0 + False + False + + Oxidation (M) + + False + + + + + + + + + False + + + + + True + 20 + 4.5 + True + 2 + True + 0.6 + 0.6 + True + True + False + 70 + False + + 0 + 0 + 0 + NaN + NaN + False + NaN + NaN + 0 + 0 + 0 + 0 + True + False + True + False + + 0 + 6 + False + 0 + 0 + 0 + 0 + False + + + + + PeptidesWithCleavedLinker + False + True + + + + + FTMS + 20 + True + 7 + True + 10 + True + True + 12 + 100 + True + True + True + True + False + + + ITMS + 0.5 + False + 0.15 + False + 0.25 + False + False + 8 + 100 + True + True + True + True + False + + + TOF + 40 + True + 0.01 + False + 0.02 + False + True + 10 + 100 + True + True + True + True + False + + + Unknown + 0.5 + False + 0.15 + False + 0.25 + False + False + 8 + 100 + True + True + True + True + False + + + + + CID + False + 1 + 1 + 1 + False + 1 + KRH + + + HCD + False + 1 + 1 + 1 + False + 1 + KRH + + + ETD + False + 1 + 1 + 1 + False + 1 + KRH + + + PQD + False + 1 + 1 + 1 + False + 1 + KRH + + + ETHCD + False + 1 + 1 + 1 + False + 1 + KRH + + + ETCID + False + 1 + 1 + 1 + False + 1 + KRH + + + UVPD + False + 1 + 1 + 1 + False + 1 + KRH + + + Unknown + False + 1 + 1 + 1 + False + 1 + KRH + + + diff -r d4b6c9eae635 -r 8bac3cc5c5de test-data/template.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/template.xml Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,428 @@ + + + + + + >(.*) + + + + + + + + + + + + + 350000 + True + 0.005 + False + False + False + False + True + True + revert + all + True + 4600 + True + True + True + 0 + 6 + 0 + 40 + True + False + False + False + False + 0 + 0 + False + False + False + False + 0 + False + False + False + False + False + False + Species + False + 3 + False + True + False + True + False + False + + + + 7 + 0.01 + 0.01 + 0.01 + 0.01 + 8 + 25 + True + 1 + 1 + 0 + False + True + False + + 2 + True + + Oxidation (M) + Acetyl (Protein N-term) + + 0 + 0 + 25 + 15 + 0 + 1 + + + 200 + False + True + True + True + True + True + True + False + False + True + False + True + False + 0 + 20 + + none + False + templateSession + 1.6.3.4 + + + 1 + + + + + -1.79769313486232E+308 + 1.79769313486232E+308 + False + False + False + False + False + False + False + + file.example.RAW + + + experiment.example + + + 32767 + + + False + + + 0 + + + + + + + 0 + 7 + 2 + False + False + True + 1 + NaN + NaN + MatchFromAndTo + 0 + 8 + True + 35 + True + 1.4 + 1.2 + False + 0 + + + + Standard + False + 0 + False + 3 + 6 + 100000 + 0 + 0 + False + False + True + False + 2 + 0 + 5 + 2 + 1 + 0 + 0 + 0 + 0 + + Carbamidomethyl (C) + + + Trypsin/P + + + + 0 + False + False + + Oxidation (M) + Acetyl (Protein N-term) + + False + + + + + + + + + False + + + + + True + 20 + 4.5 + True + 2 + True + 0.6 + 0.6 + True + True + False + 70 + False + + 0 + 0 + 0 + NaN + NaN + False + NaN + NaN + 0 + 0 + 0 + 0 + True + False + True + False + + 0 + 6 + False + 0 + 0 + 0 + 0 + False + + + + + PeptidesWithCleavedLinker + False + True + + + + + FTMS + 20 + True + 7 + True + 10 + True + True + 12 + 100 + True + True + True + True + False + + + ITMS + 0.5 + False + 0.15 + False + 0.25 + False + False + 8 + 100 + True + True + True + True + False + + + TOF + 40 + True + 0.01 + False + 0.02 + False + True + 10 + 100 + True + True + True + True + False + + + Unknown + 0.5 + False + 0.15 + False + 0.25 + False + False + 8 + 100 + True + True + True + True + False + + + + + CID + False + 1 + 1 + 1 + False + 1 + KRH + + + HCD + False + 1 + 1 + 1 + False + 1 + KRH + + + ETD + False + 1 + 1 + 1 + False + 1 + KRH + + + PQD + False + 1 + 1 + 1 + False + 1 + KRH + + + ETHCD + False + 1 + 1 + 1 + False + 1 + KRH + + + ETCID + False + 1 + 1 + 1 + False + 1 + KRH + + + UVPD + False + 1 + 1 + 1 + False + 1 + KRH + + + Unknown + False + 1 + 1 + 1 + False + 1 + KRH + + + diff -r d4b6c9eae635 -r 8bac3cc5c5de unimod.xml --- a/unimod.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,15140 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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URL - http://www.pil.sdu.dk/silac_intro.htm - - - - - - - - - - - - - - GlnGlnGlnThrGlyGly - - - - - - - - - - GlnGluGlnThrGlyGly - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - \ No newline at end of file diff -r d4b6c9eae635 -r 8bac3cc5c5de update.sh --- a/update.sh Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,35 +0,0 @@ -#!/bin/bash - -LICENSE_FILE=LICENSE -# Ensure repository contains license file. -if [ ! -e "$LICENSE_FILE" ]; -then - wget http://www.apache.org/licenses/LICENSE-2.0.txt -O "$LICENSE_FILE" -fi - -# Run repository specific update actions. -if [ -f update_repo.sh ]; -then - ./update_repo.sh -fi - -wget https://raw.github.com/gist/3749747/README_GALAXYP.md -O README_GALAXYP.md - -# Create repository README -if [ ! -e README_REPO.md ]; -then - echo "TODO: Document this tool repository." > README_REPO.md -fi -cat README_REPO.md README_GALAXYP.md > README.md - - -# If version file exists, update all tools to this version -VERSION_FILE=version -if [ -e "$VERSION_FILE" ]; -then - VERSION=`cat $VERSION_FILE` - - # Replace tool version in each tool XML file ` - find -iname "*xml" -exec sed -i'' -e '0,/version="\(.\+\)"/s/version="\(.\+\)"/version="'$VERSION'"/1g' {} \; - -fi