# HG changeset patch # User galaxyp # Date 1488559469 18000 # Node ID c0abf055f6f13b1bbadafd9cd0ad0223ac68d8cf Uploaded diff -r 000000000000 -r c0abf055f6f1 meta_proteome_analyzer.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/meta_proteome_analyzer.xml Fri Mar 03 11:44:29 2017 -0500 @@ -0,0 +1,287 @@ + + + functional and taxonomic characterization of proteins + + + mpa-portable + + + $temp_stderr) && + find \$cwd/output_dir -name '*_metaproteins.csv' -exec bash -c 'mv "$0" "metaproteins.csv"' {} \; ; + find \$cwd/output_dir -name '*_metaprotein_taxa.csv' -exec bash -c 'mv "$0" "metaprotein_taxa.csv"' {} \; ; + find \$cwd/output_dir -name '*_peptides.csv' -exec bash -c 'mv "$0" "peptides.csv"' {} \; ; + find \$cwd/output_dir -name '*_proteins.csv' -exec bash -c 'mv "$0" "proteins.csv"' {} \; ; + find \$cwd/output_dir -name '*_psms.csv' -exec bash -c 'mv "$0" "psms.csv"' {} \; ; + find \$cwd/output_dir -name '*_spectrum_ids.csv' -exec bash -c 'mv "$0" "spectrum_ids.csv"' {} \; ; + exit_code_for_galaxy=\$?; + cat $temp_stderr 2>&1; + (exit \$exit_code_for_galaxy) + +]]> + + + + + +
+ + + + + + +
+ +
+ + Comet and Tide shouldn't both be selected since they use a similar algoritm. + + + + +
+ +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +**What it does** + +Runs multiple search engines (X! Tandem, OMSSA and MS-GF+) on any number of MGF peak lists using the SearchGUI application and combines the results. + +http://compomics.github.io/projects/peptide-shaker.html +http://compomics.github.io/projects/searchgui.html + +---- + +Reports +======= + + +PSM Report +---------- + +* Protein(s): Protein(s) to which the peptide can be attached +* Sequence: Sequence of the peptide +* Variable Modifications: The variable modifications +* D-score: D-score for variable PTM localization +* probabilistic PTM score: The probabilistic score (e.g. A-score or PhosphoRS) used for variable PTM localization. +* Localization Confidence: The confidence in variable PTM localization. +* Fixed Modifications: The fixed modifications. +* Spectrum File: The spectrum file. +* Spectrum Title: The title of the spectrum. +* Spectrum Scan Number: The spectrum scan number. +* RT: Retention time +* m/z: Measured m/z +* Measured Charge: The charge as given in the spectrum file. +* Identification Charge: The charge as inferred by the search engine. +* Theoretical Mass: The theoretical mass of the peptide. +* Isotope Number: The isotope number targetted by the instrument. +* Precursor m/z Error: The precursor m/z matching error. +* Score: Score of the retained peptide as a combination of the algorithm scores (used to rank PSMs). +* Confidence: Confidence in percent associated to the retained PSM. +* Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). +* Validation: Indicates the validation level of the protein group. + + +Protein Report +-------------- + +* Main Accession: Main accession of the protein group. +* Description: Description of the protein designed by the main accession. +* Gene Name: The gene names of the Ensembl gene ID associated to the main accession. +* Chromosome: The chromosome of the Ensembl gene ID associated to the main accession. +* PI: Protein Inference status of the protein group. +* Secondary Accessions: Other accessions in the protein group (alphabetical order). +* Protein Group: The complete protein group (alphabetical order). +* #Peptides: Total number of peptides. +* #Validated Peptides: Number of validated peptides. +* #Unique: Total number of peptides unique to this protein group. +* #PSMs: Number of PSMs +* #Validated PSMs: Number of validated PSMs +* Coverage (%): Sequence coverage in percent of the protein designed by the main accession. +* Possible Coverage (%): Possible sequence coverage in percent of the protein designed by the main accession according to the search settings. +* MW (kDa): Molecular Weight. +* Spectrum Counting NSAF: Normalized Spectrum Abundance Factor (NSAF) +* Spectrum Counting emPAI: exponentially modified Protein Abundance Index (emPAI) +* Confident Modification Sites: Number of Confident Modification Sites List of the sites where a variable modification was confidently localized. +* Other Modification Sites: Number of other Modification Sites List of the non*confident sites where a variable modification was localized. +* Score: Score of the protein group. +* Confidence: Confidence in percent associated to the protein group. +* Decoy: Indicates whether the protein group is a decoy (1: yes, 0: no). +* Validation: Indicates the validation level of the protein group. + + +Peptide Report +-------------- + + +* Protein(s): Protein(s) to which this peptide can be attached. +* AAs Before: The amino-acids before the sequence. +* Sequence: Sequence of the peptide. +* AAs After: The amino-acids after the sequence. +* Modified Sequence: The peptide sequence annotated with variable modifications. +* Variable Modifications: The variable modifications. +* Localization Confidence: The confidence in PTMs localization. +* Fixed Modifications: The fixed modifications. +* #Validated PSMs: Number of validated PSMs. +* #PSMs: Number of PSMs. +* Score: Score of the peptide. +* Confidence: Confidence in percent associated to the peptide. +* Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). +* Validation: Indicates the validation level of the protein group. + + +Hierachical Report +------------------ + +* Main Accession: Main accession of the protein group. +* Description: Description of the protein designed by the main accession. +* PI: Protein Inference status of the protein group. +* Secondary Accessions: Other accessions in the protein group (alphabetical order). +* Protein Group: The complete protein group (alphabetical order). +* #Peptides: Total number of peptides. +* #Validated Peptides: Number of validated peptides. +* #Unique: Total number of peptides unique to this protein group. +* #PSMs: Number of PSMs +* #Validated PSMs: Number of validated PSMs +* Coverage (%): Sequence coverage in percent of the protein designed by the main accession. +* Possible Coverage (%): Possible sequence coverage in percent of the protein designed by the main accession according to the search settings. +* MW (kDa): Molecular Weight. +* Spectrum Counting NSAF: Normalized Spectrum Abundance Factor (NSAF) +* Spectrum Counting emPAI: exponentially modified Protein Abundance Index (emPAI) +* Confident Modification Sites: # Confident Modification Sites List of the sites where a variable modification was confidently localized. +* Other Modification Sites: # Other Modification Sites List of the non-confident sites where a variable modification was localized. +* Score: Score of the protein group. +* Confidence: Confidence in percent associated to the protein group. +* Decoy: Indicates whether the protein group is a decoy (1: yes, 0: no). +* Validation: Indicates the validation level of the protein group. +* Protein(s): Protein(s) to which this peptide can be attached. +* AAs Before: The amino-acids before the sequence. +* Sequence: Sequence of the peptide. +* AAs After: The amino-acids after the sequence. +* Variable Modifications: The variable modifications. +* Localization Confidence: The confidence in PTMs localization. +* Fixed Modifications: The fixed modifications. +* #Validated PSMs: Number of validated PSMs. +* #PSMs: Number of PSMs. +* Score: Score of the peptide. +* Confidence: Confidence in percent associated to the peptide. +* Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). +* Validation: Indicates the validation level of the protein group. +* Protein(s): Protein(s) to which the peptide can be attached. +* Sequence: Sequence of the peptide. +* Modified Sequence: The peptide sequence annotated with variable modifications. +* Variable Modifications: The variable modifications. +* D-score: D-score for variable PTM localization. +* probabilistic PTM score: The probabilistic score (e.g. A-score or PhosphoRS) used for variable PTM localization. +* Localization Confidence: The confidence in variable PTM localization. +* Fixed Modifications: The fixed modifications. +* Spectrum File: The spectrum file. +* Spectrum Title: The title of the spectrum. +* Spectrum Scan Number: The spectrum scan number. +* RT: Retention time +* m/z: Measured m/z +* Measured Charge: The charge as given in the spectrum file. +* Identification Charge: The charge as inferred by the search engine. +* Theoretical Mass: The theoretical mass of the peptide. +* Isotope Number: The isotope number targetted by the instrument. +* Precursor m/z Error: The precursor m/z matching error. +* Score: Score of the retained peptide as a combination of the algorithm scores (used to rank PSMs). +* Confidence: Confidence in percent associated to the retained PSM. +* Decoy: Indicates whether the peptide is a decoy (1: yes, 0: no). +* Validation: Indicates the validation level of the protein group. + + +------ + +**Citation** + +To cite the underlying tools (PeptideShaker and SearchGUI) please refer to the list of papers at http://compomics.github.io + +If you use this tool in Galaxy, please cite Chilton J, Ira Cooke, Bjoern Gruening et al. + + + 10.1021/pr501246w + +
diff -r 000000000000 -r c0abf055f6f1 test-data/._Test416Ebendorf.mgf Binary file test-data/._Test416Ebendorf.mgf has changed diff -r 000000000000 -r c0abf055f6f1 test-data/Test416Ebendorf.mgf --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Test416Ebendorf.mgf Fri Mar 03 11:44:29 2017 -0500 @@ -0,0 +1,430281 @@ +BEGIN IONS +TITLE=File212 Spectrum124 scans: 1672 +PEPMASS=503.7184 31112.3027 +CHARGE=2+ + +145.3700 8.3354 +147.1110 77.1655 +148.1590 15.2243 +150.1620 18.2796 +151.0720 9.7729 +154.0420 108.8800 +155.4490 21.8168 +156.1560 12.1720 +157.0610 60.7844 +158.0850 130.8340 +159.0370 10.0044 +159.7610 2.8251 +166.2320 64.3621 +167.0880 24.7442 +168.1100 16.4747 +169.1700 8.6440 +169.9350 15.7509 +171.0280 6.2542 +172.0660 57.2688 +173.1260 27.0996 +174.1380 46.1922 +175.1030 1296.4500 +176.1160 94.3488 +177.1540 13.5188 +178.1030 13.6839 +180.1970 19.1614 +181.3640 10.9511 +182.0510 5.6647 +183.0800 90.1641 +184.0950 107.1460 +185.0970 37.4794 +186.0500 52.5112 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