Repository 'proteore_ms_observation_pepatlas'
hg clone https://toolshed.g2.bx.psu.edu/repos/proteore/proteore_ms_observation_pepatlas

Changeset 0:97e4d3a43537 (2018-09-19)
Next changeset 1:23671dd35026 (2018-09-19)
Commit message:
planemo upload commit 688c456ca57914a63c20eba942ec5fe81e896099-dirty
added:
README.rst
peptide_atlas.loc.sample
proteore_ms_observation_pepatlas.R
proteore_ms_observation_pepatlas.xml
test-data/FKW_Lacombe_et_al_2017_OK.txt
test-data/Human_Brain_25-07-2018.tsv
test-data/Human_CSF_25-07-2018.tsv
test-data/Human_Heart_25-07-2018.tsv
test-data/Human_Kidney_25-07-2018.tsv
test-data/Human_Liver_25-07-2018.tsv
test-data/Human_Plasma_25-07-2018.tsv
test-data/Human_Urine_25-07-2018.tsv
test-data/PeptideAtlas_output.txt
tool_data_table_conf.xml.sample
tool_data_table_conf.xml.test
b
diff -r 000000000000 -r 97e4d3a43537 README.rst
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/README.rst Wed Sep 19 05:16:37 2018 -0400
b
@@ -0,0 +1,24 @@
+Wrapper for Number of MS/MS observations in a tissue (from Peptide Atlas) tool
+==============================================================================
+
+**Authors**
+
+T.P. Lien Nguyen, Florence Combes, Yves Vandenbrouck CEA, INSERM, CNRS, Grenoble-Alpes University, BIG Institute, FR
+
+Sandra Dérozier, Olivier Rué, Christophe Caron, Valentin Loux INRA, Paris-Saclay University, MAIAGE Unit, Migale Bioinformatics platform
+
+This work has been partially funded through the French National Agency for Research (ANR) IFB project.
+
+Contact support@proteore.org for any questions or concerns about the Galaxy implementation of this tool.
+
+==============================================================================
+
+Given a list of Uniprot accession number this tool indicates the number of times a protein has(ve) been observed in a given sample using LC-MS/MS proteomics approach. Could be of interest for people who wants to know to what extent a protein is detectable (and to roughly estimate its level) in a given sample using proteomics. Available human biological samples are the following: brain, heart, kidney, liver, plasma, urine and cerebrospinal fluid (CSF). Data were retrieved from Peptide Atlas release (Jan 2018).
+
+**Input required**
+
+A list of Uniprot accession number (e.g. Q12860) provided either in the form of a file (if you choose a file, it is necessary to specify the column where are your Uniprot accession number) or in a copy/paste mode. If your input file or list contains other type of IDs, please use the ID_Converter tool to convert yours into Uniprot accession number.
+
+**Output**
+
+Additional columns are created for each selected proteomics sample reporting the number of times all peptides corresponding to a protein have been observed by LC-MS/MS according to Peptide Atlas. “NA” means that no information has been reported suggesting that this protein has not been observed in the sample of interest.
\ No newline at end of file
b
diff -r 000000000000 -r 97e4d3a43537 peptide_atlas.loc.sample
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/peptide_atlas.loc.sample Wed Sep 19 05:16:37 2018 -0400
b
@@ -0,0 +1,5 @@
+#This file lists the locations name and values of reference files 
+#for number of MS/MS observations in a tissue
+#This is a tab separated file (TAB, not 4 spaces !)
+#
+#<tissue>   <name>  <value>
b
diff -r 000000000000 -r 97e4d3a43537 proteore_ms_observation_pepatlas.R
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/proteore_ms_observation_pepatlas.R Wed Sep 19 05:16:37 2018 -0400
[
@@ -0,0 +1,122 @@
+# Read file and return file content as data.frame
+readfile <- function(filename, header) {
+  if (header == "true") {
+    # Read only first line of the file as header:
+    headers <- try(read.table(filename, nrows = 1, header = FALSE, sep = "\t", stringsAsFactors = FALSE, fill = TRUE, na.strings=c("", "NA"), blank.lines.skip = TRUE, quote = ""),silent=TRUE)
+    if (!inherits(headers, 'try-error')){
+      file
+    } else {
+      stop("Your file seems to be empty, 'number of MS/MS observations in a tissue' tool stopped !")
+    }
+    #Read the data of the files (skipping the first row)
+    file <- read.table(filename, skip = 1, header = FALSE, sep = "\t", stringsAsFactors = FALSE, fill = TRUE, na.strings=c("", "NA"), blank.lines.skip = TRUE, quote = "")
+    # Remove empty rows
+    file <- file[!apply(is.na(file) | file == "", 1, all), , drop=FALSE]
+    #And assign the header to the data
+    names(file) <- headers
+  }
+  else {
+    file <- try(read.table(filename, header = FALSE, sep = "\t", stringsAsFactors = FALSE, fill = TRUE, na.strings=c("", "NA"), blank.lines.skip = TRUE, quote = ""),silent=TRUE)
+    if (!inherits(file, 'try-error')){
+      file
+    } else {
+      stop("Your file seems to be empty, 'number of MS/MS observations in a tissue' tool stopped !")
+    }
+    # Remove empty rows
+    file <- file[!apply(is.na(file) | file == "", 1, all), , drop=FALSE]
+  }
+  return(file)
+}
+
+nb_obs_PeptideAtlas <- function(input, atlas_file) {
+  ## Calculate the sum of n_observations for each ID in input
+  atlas = readfile(atlas_file, "true")
+  return(atlas$nb_obs[match(input,atlas$Uniprot_AC)])
+}
+
+main = function() {
+  args <- commandArgs(TRUE)
+  if(length(args)<1) {
+    args <- c("--help")
+  }
+  
+  # Help section
+  if("--help" %in% args) {
+    cat("Selection and Annotation HPA
+    Arguments:
+        --input_type: type of input (list of id or filename)
+        --input: input
+        --atlas: list of file(s) path to use
+        --output: text output filename \n")
+    q(save="no")
+  }
+  
+  # Parse arguments
+  parseArgs <- function(x) strsplit(sub("^--", "", x), "=")
+  argsDF <- as.data.frame(do.call("rbind", parseArgs(args)))
+  args <- as.list(as.character(argsDF$V2))
+  names(args) <- argsDF$V1
+  
+  #save(args,file="/home/dchristiany/proteore_project/ProteoRE/tools/retrieve_msbased_pepatlas/args.Rda")
+  #load("/home/dchristiany/proteore_project/ProteoRE/tools/retrieve_msbased_pepatlas/args.Rda")
+  
+  # Extract input
+  input_type = args$input_type
+  if (input_type == "list") {
+    input = strsplit(args$input, "[ \t\n]+")[[1]]
+  } else if (input_type == "file") {
+    filename = args$input
+    ncol = args$column
+    # Check ncol
+    if (! as.numeric(gsub("c", "", ncol)) %% 1 == 0) {
+      stop("Please enter an integer for level")
+    } else {
+      ncol = as.numeric(gsub("c", "", ncol))
+    }
+    header = args$header
+    # Get file content
+    file = readfile(filename, header)
+    # Extract Protein IDs list
+    input = c()
+    for (row in as.character(file[,ncol])) {
+      input = c(input, strsplit(row, ";")[[1]][1])
+    }
+  }
+
+  output = args$output
+
+  #function to create a list of infos from file path
+  extract_info_from_path <- function(path) {
+    file_name=strsplit(tail(strsplit(path,"/")[[1]],n=1),"\\.")[[1]][1]
+    date=tail(strsplit(file_name,"_")[[1]],n=1)
+    tissue=paste(strsplit(file_name,"_")[[1]][1:2],collapse="_")
+    return (c(date,tissue,file_name,path))
+  }
+  
+  #data_frame building
+  paths=strsplit(args$atlas,",")[[1]]
+  tmp <- sapply(paths, extract_info_from_path,USE.NAMES = FALSE)
+  df <- as.data.frame(t(as.data.frame(tmp)),row.names = c(""),stringsAsFactors = FALSE)
+  names(df) <- c("date","tissue","filename","path")
+  
+  # Annotations
+  res = sapply(df$path, function(x) nb_obs_PeptideAtlas(input, x), USE.NAMES = FALSE)
+  names=df$filename
+
+  # Write output
+  if (input_type == "list") {
+    res = cbind(as.matrix(input), res)
+    names = c("Uniprot accession number", names)
+    colnames(res) = names
+    write.table(res, output, row.names = FALSE, sep = "\t", quote = FALSE)
+  } else if (input_type == "file") {
+    names = c(names(file), names)
+    output_content = cbind(file, res)
+    colnames(output_content) = names
+    write.table(output_content, output, row.names = FALSE, sep = "\t", quote = FALSE)
+  }
+}
+
+main()
+#Rscript retrieve_peptideatlas.R --input_type="file" --input="test-data/FKW_Lacombe_et_al_2017_OK.txt" --atlas_brain="Human_Brain_201803_PeptideAtlas.txt" --column="c1" --header="true"  --output="test-data/PeptideAtlas_output.txt"  --atlas_urine="Human_Urine_201803_PeptideAtlas.txt" --atlas="brain,urine"
+
b
diff -r 000000000000 -r 97e4d3a43537 proteore_ms_observation_pepatlas.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/proteore_ms_observation_pepatlas.xml Wed Sep 19 05:16:37 2018 -0400
[
@@ -0,0 +1,117 @@
+<tool id="retr_pepatlas1" name="Number of MS/MS observations in a tissue (from Peptide Atlas)" version="2018.08.22">
+    <description>
+    </description>
+    <requirements>
+        <requirement type="package" version="3.4.1">R</requirement>
+    </requirements>
+    <stdio>
+        <exit_code range="1:" />
+    </stdio>
+    <command interpreter="Rscript">
+        $__tool_directory__/proteore_ms_observation_pepatlas.R
+        --input_type="$input.ids"
+        #if $input.ids == "list"
+            --input="$input.list"
+        #else
+            --input="$input.file"
+            --column_number="$input.ncol"
+            --header="$input.header"
+        #end if
+        --atlas="$atlas"
+        --output="$output"
+    </command>
+
+    <inputs>
+        <conditional name="input" >
+            <param name="ids" type="select" label="Provide your identifiers" help="Copy/paste or ID list from a file (e.g. table)" >
+                <option value="list">Copy/paste your identifiers</option>
+                <option value="file" selected="true">Input file containing your identifiers</option>
+            </param>
+            <when value="list" >
+                <param name="list" type="text" label="Copy/paste your identifiers" help='IDs must be separated by spaces into the form field, for example: P31946 P62258' >
+                    <sanitizer>
+                        <valid initial="string.printable">
+                            <remove value="&apos;"/>
+                        </valid>
+                        <mapping initial="none">
+                            <add source="&apos;" target="__sq__"/>
+                        </mapping>
+                    </sanitizer>
+                </param>
+            </when>
+            <when value="file" >
+                <param name="file" type="data" format="txt,tabular" label="Choose a file that contains your list of Uniprot IDs" help="" />
+                <param name="header" type="boolean" checked="true" truevalue="true" falsevalue="false" label="Does your input file contain header?" />
+                <param name="ncol" type="text" value="c1" label="The column number of Uniprot IDs to map" help='For example, fill in "c1" if it is the first column, "c2" if it is the second column and so on' />                
+            </when>
+        </conditional>
+        <!-- Peptide Atlas options -->
+        <param name="atlas" type="select" display="checkboxes" multiple="true" label="Please select proteomics dataset (sample)">
+            <options from_data_table="peptide_atlas">
+                <filter type="sort_by" column="2"/>
+            </options>
+        </param>
+    </inputs>
+
+    <outputs>
+        <data name="output" format="tabular" label=""/>
+    </outputs>
+
+    <tests>
+    <test>
+        <conditional name="input">
+            <param name="ids" value="file"/>
+            <param name="file" value="FKW_Lacombe_et_al_2017_OK.txt"/>
+            <param name="ncol" value="c1"/>
+            <param name="header" value="true"/>
+        </conditional>
+
+        <!--${__HERE__} does not work here, you must put absolute path here and in test-data/peptide_atlas.loc -->
+        <param name="atlas" value="${__HERE__}/test-data/Human_Brain_18-07-2018.tsv"/>
+
+        <output name="output" file="PeptideAtlas_output.txt"/>
+        </test>
+    </tests>
+
+    <help><![CDATA[
+
+Given a list of Uniprot accession number this tool indicates the number of times a protein 
+has(ve) been observed in a given sample using LC-MS/MS proteomics approach. 
+Could be of interest for people who wants to know to what extent a protein 
+is detectable (and to roughly estimate its level) in a given sample using proteomics. 
+Available human biological samples are the following: brain, heart, kidney, 
+liver, plasma, urine and cerebrospinal fluid (CSF). Data were retrieved from 
+Peptide Atlas release (Jan 2018).
+
+**Input required**
+
+A list of Uniprot accession number (e.g. Q12860) provided either in the form of 
+a file (if you choose a file, it is necessary to specify the column where 
+are your Uniprot accession number) or in a copy/paste mode. If your input file 
+or list contains other type of IDs, please use the ID_Converter tool to convert 
+yours into Uniprot accession number.
+
+**Output**
+
+Additional columns are created for each selected proteomics sample reporting 
+the number of times all peptides corresponding to a protein have been observed by 
+LC-MS/MS according to Peptide Atlas. “NA” means that no information has been reported 
+suggesting that this protein has not been observed in the sample of interest.
+
+----
+
+**Authors**
+
+T.P. Lien Nguyen, David Christiany, Florence Combes, Yves Vandenbrouck CEA, INSERM, CNRS, Grenoble-Alpes University, BIG Institute, FR
+
+Sandra Dérozier, Olivier Rué, Christophe Caron, Valentin Loux INRA, Paris-Saclay University, MAIAGE Unit, Migale Bioinformatics platform
+
+This work has been partially funded through the French National Agency for Research (ANR) IFB project.
+
+Contact support@proteore.org for any questions or concerns about the Galaxy implementation of this tool.

+    ]]></help>
+    <citations>
+    </citations>
+</tool>
+
b
diff -r 000000000000 -r 97e4d3a43537 test-data/FKW_Lacombe_et_al_2017_OK.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/FKW_Lacombe_et_al_2017_OK.txt Wed Sep 19 05:16:37 2018 -0400
[
@@ -0,0 +1,154 @@
+Protein accession number (UniProt) Protein name Number of peptides (razor + unique)
+
+P15924 Desmoplakin 69
+P02538 Keratin, type II cytoskeletal 6A 53
+P02768 Serum albumin 44
+P08779 Keratin, type I cytoskeletal 16 29
+Q02413 Desmoglein-1 24
+P07355 "Annexin A2;Putative annexin A2-like protein" 22
+P14923 Junction plakoglobin 22
+P02788 Lactotransferrin 21
+Q9HC84 Mucin-5B 21
+P29508 Serpin B3 20
+P63261 Actin, cytoplasmic 2 19
+Q8N1N4 Keratin, type II cytoskeletal 78 18
+Q04695 Keratin, type I cytoskeletal 17 18
+P01876 Ig alpha-1 chain C region 16
+Q01469 Fatty acid-binding protein 5, epidermal 15
+P31944 Caspase-14 15
+P01833 Polymeric immunoglobulin receptor 15
+P06733 Alpha-enolase 15
+P25311 Zinc-alpha-2-glycoprotein 15
+Q15149 Plectin 15
+P19013 Keratin, type II cytoskeletal 4 13
+Q6KB66 Keratin, type II cytoskeletal 80 13
+Q08188 Protein-glutamine gamma-glutamyltransferase E 12
+P13646 Keratin, type I cytoskeletal 13 11
+Q86YZ3 Hornerin 11
+P04259 Keratin, type II cytoskeletal 6B 10
+P02545 "Prelamin-A/C;Lamin-A/C" 10
+P04083 Annexin A1 10
+P11021 78 kDa glucose-regulated protein 10
+P02787 Serotransferrin 9
+P04040 Catalase 9
+P31151 Protein S100-A7 9
+P31947 14-3-3 protein sigma 9
+Q96P63 Serpin B12 9
+P14618 Pyruvate kinase PKM 9
+P60174 Triosephosphate isomerase 9
+Q06830 Peroxiredoxin-1 9
+P01040 Cystatin-A 8
+P05089 Arginase-1 8
+P01834 Ig kappa chain C region 8
+P04406 Glyceraldehyde-3-phosphate dehydrogenase 8
+P0DMV9 Heat shock 70 kDa protein 1B 8
+P13639 Elongation factor 2 8
+P35579 Myosin-9 8
+P68371 Tubulin beta-4B chain 8
+Q8WVV4 Protein POF1B 8
+O75635 Serpin B7 7
+P01857 Ig gamma-1 chain C region 7
+P61626 Lysozyme C 7
+P68363 Tubulin alpha-1B chain 7
+P01009 "Alpha-1-antitrypsin;Short peptide from AAT" 6
+P07900 Heat shock protein HSP 90-alpha 6
+Q9NZH8 Interleukin-36 gamma 6
+O43707 "Alpha-actinin-4;Alpha-actinin-1" 6
+O75223 Gamma-glutamylcyclotransferase 6
+P00338 L-lactate dehydrogenase A chain 6
+P07339 Cathepsin D 6
+P62987 Ubiquitin-60S ribosomal protein L40 6
+P10599 Thioredoxin 6
+Q9UGM3 Deleted in malignant brain tumors 1 protein 6
+Q9UI42 Carboxypeptidase A4 6
+P47929 Galectin-7 5
+Q13867 Bleomycin hydrolase 5
+Q6P4A8 Phospholipase B-like 1 5
+O75369 Filamin-B 5
+P00441 Superoxide dismutase [Cu-Zn] 5
+P04792 Heat shock protein beta-1 5
+P11142 Heat shock cognate 71 kDa protein 5
+P58107 Epiplakin 5
+P60842 Eukaryotic initiation factor 4A-I 5
+P62937 Peptidyl-prolyl cis-trans isomerase A 5
+P63104 14-3-3 protein zeta/delta 5
+Q92820 Gamma-glutamyl hydrolase 5
+O75342 Arachidonate 12-lipoxygenase, 12R-type 4
+P09211 Glutathione S-transferase P 4
+P31025 Lipocalin-1 4
+P48594 Serpin B4 4
+Q14574 Desmocollin-3 4
+Q5T750 Skin-specific protein 32 4
+Q6UWP8 Suprabasin 4
+O60911 Cathepsin L2 4
+P00558 Phosphoglycerate kinase 1 4
+P04075 Fructose-bisphosphate aldolase A 4
+P07384 Calpain-1 catalytic subunit 4
+P0CG05 Ig lambda-2 chain C regions 4
+P18206 Vinculin 4
+P62258 14-3-3 protein epsilon 4
+P68871 Hemoglobin subunit beta 4
+Q9C075 Keratin, type I cytoskeletal 23 4
+A8K2U0 Alpha-2-macroglobulin-like protein 1 3
+P00738 Haptoglobin 3
+P01011 Alpha-1-antichymotrypsin 3
+P02763 Alpha-1-acid glycoprotein 1 3
+P18510 Interleukin-1 receptor antagonist protein 3
+P22528 Cornifin-B 3
+P30740 Leukocyte elastase inhibitor 3
+P80188 Neutrophil gelatinase-associated lipocalin 3
+Q15828 Cystatin-M 3
+Q9HCY8 Protein S100-A14 3
+P01623 Ig kappa chain V-III region 3
+P01877 Ig alpha-2 chain C region 3
+P06396 Gelsolin 3
+P14735 Insulin-degrading enzyme 3
+P20933 N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase 3
+P25788 Proteasome subunit alpha type-3 3
+P26641 Elongation factor 1-gamma 3
+P36952 Serpin B5 3
+P40926 Malate dehydrogenase, mitochondrial 3
+Q9Y6R7 IgGFc-binding protein 3
+O95274 Ly6/PLAUR domain-containing protein 3 2
+P00491 Purine nucleoside phosphorylase 2
+P04080 Cystatin-B 2
+P09972 Fructose-bisphosphate aldolase C 2
+P19012 Keratin, type I cytoskeletal 15 2
+P20930 Filaggrin 2
+Q96FX8 p53 apoptosis effector related to PMP-22 2
+Q9UIV8 Serpin B13 2
+P01625 Ig kappa chain V-IV region Len 2
+P01765 Ig heavy chain V-III region TIL 2
+P01766 Ig heavy chain V-III region BRO 2
+P01860 Ig gamma-3 chain C region 2
+P01871 Ig mu chain C region 2
+P05090 Apolipoprotein D 2
+P06870 Kallikrein-1 2
+P07858 Cathepsin B 2
+P08865 40S ribosomal protein SA 2
+P11279 Lysosome-associated membrane glycoprotein 1 2
+P13473 Lysosome-associated membrane glycoprotein 2 2
+P19971 Thymidine phosphorylase 2
+P23284 Peptidyl-prolyl cis-trans isomerase B 2
+P23396 40S ribosomal protein S3 2
+P25705 ATP synthase subunit alpha, mitochondrial 2
+P27482 Calmodulin-like protein 3 2
+P31949 Protein S100-A11 2
+P40121 Macrophage-capping protein 2
+P42357 Histidine ammonia-lyase 2
+P47756 F-actin-capping protein subunit beta 2
+P48637 Glutathione synthetase 2
+P49720 Proteasome subunit beta type-3 2
+P50395 Rab GDP dissociation inhibitor beta 2
+P59998 Actin-related protein 2/3 complex subunit 4 2
+P61160 Actin-related protein 2 2
+P61916 Epididymal secretory protein E1 2
+P04745 Alpha-amylase 1 23
+Q9NZT1 Calmodulin-like protein 5 8
+P12273 Prolactin-inducible protein 6
+Q96DA0 Zymogen granule protein 16 homolog B 5
+P01036 Cystatin-S 5
+Q8TAX7 Mucin-7 2
+P01037 Cystatin-SN 2
+P09228 Cystatin-SA 2
+
b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_Brain_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_Brain_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_CSF_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_CSF_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_Heart_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_Heart_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_Kidney_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_Kidney_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_Liver_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_Liver_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_Plasma_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_Plasma_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/Human_Urine_25-07-2018.tsv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Human_Urine_25-07-2018.tsv Wed Sep 19 05:16:37 2018 -0400
b
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b
diff -r 000000000000 -r 97e4d3a43537 test-data/PeptideAtlas_output.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/PeptideAtlas_output.txt Wed Sep 19 05:16:37 2018 -0400
b
b'@@ -0,0 +1,152 @@\n+Protein accession number (UniProt)\tProtein name\tNumber of peptides (razor + unique)\tHuman_Liver_25-07-2018\tHuman_Brain_25-07-2018\tHuman_Heart_25-07-2018\tHuman_Kidney_25-07-2018\tHuman_CSF_25-07-2018\tHuman_Plasma_25-07-2018\tHuman_Urine_25-07-2018\n+P15924\tDesmoplakin\t69\t142377\t95096\t168528\t77390\t85770\t119354\t138592\n+P02538\tKeratin, type II cytoskeletal 6A\t53\t319974\t328169\t303239\t324409\t319406\t329783\t321966\n+P02768\tSerum albumin\t44\t4034248\t4061388\t3987900\t4014664\t4128717\t4101660\t4147099\n+P08779\tKeratin, type I cytoskeletal 16\t29\t211637\t226951\t212075\t220729\t213732\t222534\t235473\n+Q02413\tDesmoglein-1\t24\t8028\t11289\t7420\t7895\t16628\t13979\t13369\n+P07355\t"Annexin A2;Putative annexin A2-like protein"\t22\t335937\t329192\t336660\t340540\t217766\t325970\t337207\n+P14923\tJunction plakoglobin\t22\t63373\t58265\t69043\t52170\t47245\t56259\t62907\n+P02788\tLactotransferrin\t21\t125966\t129200\t65470\t121362\t122529\t124893\t133482\n+Q9HC84\tMucin-5B\t21\tNA\tNA\t513\tNA\t622\t3125\t7020\n+P29508\tSerpin B3\t20\t4825\t7614\t4825\t5027\t5655\t14510\t11231\n+P63261\tActin, cytoplasmic 2\t19\t2507222\t2539480\t2451756\t2507619\t2154824\t2337394\t2527283\n+Q8N1N4\tKeratin, type II cytoskeletal 78\t18\t30583\t33292\t26078\t31009\t30980\t30402\t29408\n+Q04695\tKeratin, type I cytoskeletal 17\t18\t115279\t164532\t140917\t134017\t150620\t143360\t164560\n+P01876\tIg alpha-1 chain C region\t16\t757578\t730284\t705165\t740554\t783544\t793560\t817430\n+Q01469\tFatty acid-binding protein 5, epidermal\t15\t39479\t39522\t42540\t35783\t35719\t38758\t37129\n+P31944\tCaspase-14\t15\tNA\t1391\t1137\tNA\t2533\t4624\t2880\n+P01833\tPolymeric immunoglobulin receptor\t15\t20841\t7248\tNA\t50469\t30073\t58502\t53354\n+P06733\tAlpha-enolase\t15\t823360\t830567\t822618\t833016\t780302\t788901\t814010\n+P25311\tZinc-alpha-2-glycoprotein\t15\t537210\t534097\t354079\t535898\t583956\t601524\t585402\n+Q15149\tPlectin\t15\t555953\t518832\t611842\t606213\t1648\t28513\t492273\n+P19013\tKeratin, type II cytoskeletal 4\t13\t76328\t74580\t72973\t83227\t73803\t79318\t73240\n+Q6KB66\tKeratin, type II cytoskeletal 80\t13\t48823\t44759\t49924\t48632\t44976\t46104\t47250\n+Q08188\tProtein-glutamine gamma-glutamyltransferase E\t12\tNA\t2107\tNA\t99\t2838\t2081\t3880\n+P13646\tKeratin, type I cytoskeletal 13\t11\t121760\t99000\t122818\t131912\t111069\t134774\t129736\n+Q86YZ3\tHornerin\t11\t15140\t35518\t42208\t38988\t38668\t37872\t36925\n+P04259\tKeratin, type II cytoskeletal 6B\t10\t347317\t363626\t332829\t352955\t356419\t360519\t356657\n+P02545\t"Prelamin-A/C;Lamin-A/C"\t10\t275428\t264913\t276787\t275488\tNA\t162486\t259543\n+P04083\tAnnexin A1\t10\t165351\t160085\t168636\t164137\t47845\t166007\t163612\n+P11021\t78 kDa glucose-regulated protein\t10\t491857\t474661\t475436\t481012\t437635\t399700\t490259\n+P02787\tSerotransferrin\t9\t865282\t879183\t856893\t877445\t923227\t894492\t919022\n+P04040\tCatalase\t9\t102248\t93889\t94113\t99426\t63719\t66687\t98376\n+P31151\tProtein S100-A7\t9\tNA\t6885\tNA\t2009\t6353\t9825\t8737\n+P31947\t14-3-3 protein sigma\t9\t91984\t79919\t80042\t73306\t68316\t86007\t94351\n+Q96P63\tSerpin B12\t9\t809\t620\t487\t1296\t2160\t1967\t1179\n+P14618\tPyruvate kinase PKM\t9\t689710\t720750\t708696\t704253\t684744\t640757\t711201\n+P60174\tTriosephosphate isomerase\t9\t301704\t303161\t300425\t302164\t284053\t284248\t298321\n+Q06830\tPeroxiredoxin-1\t9\t228019\t228763\t226445\t225920\t205221\t197577\t224285\n+P01040\tCystatin-A\t8\t6904\t4253\tNA\t1794\t7036\t7016\t5230\n+P05089\tArginase-1\t8\t12530\t2871\t3482\t10293\t6068\t7653\t8927\n+P01834\tIg kappa chain C region\t8\t903130\t942720\t906883\t925001\t948102\t964189\t966351\n+P04406\tGlyceraldehyde-3-phosphate dehydrogenase\t8\t1077059\t1094095\t1070354\t1068230\t906215\t940688\t1071397\n+P0DMV9\tHeat shock 70 kDa protein 1B\t8\t429972\t436937\t434045\t429652\t259144\t345698\t422131\n+P13639\tElongation factor 2\t8\t495316\t486368\t474412\t438027\t206888\t271655\t474649\n+P35579\tMyosin-9\t8\t1268893\t1225860\t1226696\t1263466\t201637\t739201\t1247876\n+P68371\tTubulin beta-4B chain\t8\t990617\t1021213\t986037\t992796\t790075\t912254\t991679\n+Q8WVV4\tProtein POF1B\t8\tNA\tNA\t1052\tNA\tNA\t611\t1968\n+O75635\tSerpin B7\t7\tNA\tNA\t347\tNA\t79\tNA\t25\n+P01857\tIg gamma-1 chain C region\t7\t1050908\t1067267\t1008293\t1045235\t1102986\t1095909\t1108030\n+P61626\tLysozyme C\t7\t49818\t38215\t43160\t51886\t52883\t52355\t5'..b'58\t18312\t19725\t21516\t21452\n+Q15828\tCystatin-M\t3\tNA\tNA\tNA\tNA\t3599\t3987\t3480\n+Q9HCY8\tProtein S100-A14\t3\t2821\tNA\t1082\tNA\tNA\t2165\t2134\n+P01623\tIg kappa chain V-III region\t3\tNA\tNA\tNA\tNA\tNA\tNA\tNA\n+P01877\tIg alpha-2 chain C region\t3\t694555\t716305\t700857\t723856\t730305\t747506\t768606\n+P06396\tGelsolin\t3\t1287447\t1379383\t1274407\t1302527\t1419817\t1169333\t1337014\n+P14735\tInsulin-degrading enzyme\t3\t17861\t13629\t12516\t13372\tNA\tNA\t14521\n+P20933\tN(4)-(beta-N-acetylglucosaminyl)-L-asparaginase\t3\t3008\t2805\t1266\t2780\t4014\t2979\t3418\n+P25788\tProteasome subunit alpha type-3\t3\t35950\t36236\t36013\t36371\t3575\t11062\t36074\n+P26641\tElongation factor 1-gamma\t3\t137404\t136298\t134511\t137325\t31309\t49630\t133526\n+P36952\tSerpin B5\t3\t2256\t623\t2598\tNA\t3128\t6451\t10291\n+P40926\tMalate dehydrogenase, mitochondrial\t3\t218645\t221494\t217935\t213830\t191296\t185563\t212686\n+Q9Y6R7\tIgGFc-binding protein\t3\t1278\t18889\tNA\tNA\t46380\t35431\t25645\n+O95274\tLy6/PLAUR domain-containing protein 3\t2\t303\tNA\t303\t303\tNA\t970\t669\n+P00491\tPurine nucleoside phosphorylase\t2\t73794\t74481\t60134\t75554\t11054\t69633\t70355\n+P04080\tCystatin-B\t2\t37617\t37392\t35821\t35086\t33109\t34957\t35223\n+P09972\tFructose-bisphosphate aldolase C\t2\t105683\t110996\t111021\t101042\t105270\t82178\t106823\n+P19012\tKeratin, type I cytoskeletal 15\t2\t110524\t90350\t112120\t113472\t98435\t115279\t114900\n+P20930\tFilaggrin\t2\t808\t617\t1566\t574\t2386\t2376\t1111\n+Q96FX8\tp53 apoptosis effector related to PMP-22\t2\tNA\tNA\t184\tNA\t149\t166\tNA\n+Q9UIV8\tSerpin B13\t2\tNA\tNA\tNA\tNA\tNA\t452\t83\n+P01625\tIg kappa chain V-IV region Len\t2\tNA\tNA\tNA\tNA\tNA\tNA\tNA\n+P01765\tIg heavy chain V-III region TIL\t2\tNA\tNA\tNA\tNA\tNA\tNA\tNA\n+P01766\tIg heavy chain V-III region BRO\t2\t111574\t119483\t114044\t117768\t117860\t115780\t123431\n+P01860\tIg gamma-3 chain C region\t2\t460682\t473345\t440313\t481015\t501453\t485795\t496332\n+P01871\tIg mu chain C region\t2\t736466\t764638\t657382\t786819\t836997\t798608\t928187\n+P05090\tApolipoprotein D\t2\t488723\t505850\t341408\t508056\t524003\t528820\t524688\n+P06870\tKallikrein-1\t2\tNA\tNA\tNA\tNA\tNA\t1625\t1024\n+P07858\tCathepsin B\t2\t47127\t45065\t46514\t46312\t48159\t47773\t42954\n+P08865\t40S ribosomal protein SA\t2\t99729\t97595\t96640\t96167\t51713\t52101\t96976\n+P11279\tLysosome-associated membrane glycoprotein 1\t2\t24913\t24679\t24062\t24264\t25469\t26241\t25579\n+P13473\tLysosome-associated membrane glycoprotein 2\t2\t23679\t23514\t18416\t19052\t24363\t21031\t24678\n+P19971\tThymidine phosphorylase\t2\t32407\t19710\t25649\t31407\t3388\t5945\t21690\n+P23284\tPeptidyl-prolyl cis-trans isomerase B\t2\t119688\t114725\t119112\t112433\t100047\t108025\t109113\n+P23396\t40S ribosomal protein S3\t2\t137018\t136944\t135917\t135012\t32039\t72562\t136725\n+P25705\tATP synthase subunit alpha, mitochondrial\t2\t324452\t326832\t327400\t320630\t166214\t256636\t311414\n+P27482\tCalmodulin-like protein 3\t2\t7456\t7195\t7871\t8480\t7456\t7995\t9163\n+P31949\tProtein S100-A11\t2\t55429\t49274\t55429\t56325\t45021\t54436\t56222\n+P40121\tMacrophage-capping protein\t2\t43287\t43160\t33903\t47582\t40785\t41526\t42788\n+P42357\tHistidine ammonia-lyase\t2\t1319\tNA\tNA\tNA\tNA\t194\t773\n+P47756\tF-actin-capping protein subunit beta\t2\t74271\t73745\t74628\t73510\t15808\t43027\t72866\n+P48637\tGlutathione synthetase\t2\t20159\t18744\t18632\t21873\t14923\t3818\t16190\n+P49720\tProteasome subunit beta type-3\t2\t31654\t32439\t32155\t32573\t13487\t13395\t32246\n+P50395\tRab GDP dissociation inhibitor beta\t2\t175982\t175993\t171306\t171156\t154570\t146606\t169222\n+P59998\tActin-related protein 2/3 complex subunit 4\t2\t32136\t32013\t32332\t32426\t26318\t20742\t32640\n+P61160\tActin-related protein 2\t2\t77943\t78449\t77224\t78687\t15307\t39910\t77033\n+P61916\tEpididymal secretory protein E1\t2\t17480\t16620\t16488\t18374\t19741\t17549\t16996\n+P04745\tAlpha-amylase 1\t23\tNA\t5263\tNA\tNA\t12036\t18282\t16843\n+Q9NZT1\tCalmodulin-like protein 5\t8\t4805\t5432\t7591\t5503\t4570\t6450\t8086\n+P12273\tProlactin-inducible protein\t6\t6814\t8960\t3797\t11248\t13545\t18727\t20201\n+Q96DA0\tZymogen granule protein 16 homolog B\t5\tNA\tNA\tNA\tNA\t1560\t3455\t2700\n+P01036\tCystatin-S\t5\tNA\tNA\tNA\tNA\t2577\t5348\t8225\n+Q8TAX7\tMucin-7\t2\tNA\tNA\tNA\tNA\t25\tNA\t339\n+P01037\tCystatin-SN\t2\tNA\tNA\tNA\tNA\t3437\t5086\t8969\n+P09228\tCystatin-SA\t2\tNA\tNA\tNA\tNA\t491\t3406\t3264\n'
b
diff -r 000000000000 -r 97e4d3a43537 tool_data_table_conf.xml.sample
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/tool_data_table_conf.xml.sample Wed Sep 19 05:16:37 2018 -0400
b
@@ -0,0 +1,8 @@
+
+<tables>
+    <!-- Location of peptide reference files for proteore_ms_observation -->
+    <table name='peptide_atlas' comment_char="#">
+        <columns>tissue,name,value</columns>
+        <file path="tool-data/peptide_atlas.loc" />
+    </table>
+</tables> 
\ No newline at end of file
b
diff -r 000000000000 -r 97e4d3a43537 tool_data_table_conf.xml.test
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/tool_data_table_conf.xml.test Wed Sep 19 05:16:37 2018 -0400
b
@@ -0,0 +1,7 @@
+<tables>
+    <!-- Location of peptide reference files for proteore_ms_observation -->
+    <table name='peptide_atlas' comment_char="#">
+        <columns>tissue,name,value</columns>
+        <file path="/home/dchristiany/proteore_project/ProteoRE/tools/retrieve_msbased_pepatlas/test-data/peptide_atlas.loc" />
+    </table>
+</tables>