lgatto / synapter

Label-free data analysis pipeline for optimal identification and quantitation
https://lgatto.github.io/synapter/
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Document the columns in the files generated by `writeMatchedEMRTs`. #127

Open sgibb opened 7 years ago

sgibb commented 7 years ago

@pavel-shliaha Could you please add (by clicking edit) the missing cells? I will add it as man page than.

IdentPeptides.csv

understanding the meaning of some columns will require reading "Database searching and accounting of multiplexed precursor and product ion spectra from the data independent analysis of simple and complex peptide mixtures."

Column Description
protein.Accession UniProt Accession Number
protein.Description Description
protein.dataBaseType Whether the id originates from forward or reverse database
protein.falsePositiveRate false DISCOVERY rate for protein level identifications (calculated as the proportion of proteins idetified from the random database at every point). Waters call it false positive rate, which is an error
peptide.matchType pass 1 (PepFrag1) or pass2 (MissedCleavage; VarMod; InSource; NeutralLoss_H2O; PepFrag2) identifications for more details see the paper above. Note synapter only deals with pepFrag1 or pepFrag2 ids. FDR is calculated separately for pepFrag1 and pepFrag2
peptide.mhp peptide mz (charge corrected)
peptide.seq peptide sequence
peptide.score peptide identification score (see above)
precursor.leID low energy scan ID
precursor.mhp precursor mz (charge corrected)
precursor.retT precursor retention time
precursor.inten precursor intensity
precursor.z precursor charge
precursor.mz precursor mz
precursor.Mobility precursor ion mobility
errorppm ppm error of identifications
pval pvalue of identification calculated by synapter
qval pvalue corrected by syanpter (qval algorithm)
BH pvalue corrected by syanpter (BH algorithm)
Bonferroni pvalue corrected by syanpter (Bonferroni algorithm)
predictedRt predicted retention time after retention time correction
sdRt standard deviation of the retention time prediction

MatchedPeptides.csv

Column Description
protein.Accession UniProt Accession Number
protein.Description Description
protein.dataBaseType
protein.falsePositiveRate
peptide.matchType
peptide.mhp peptide mz (charge corrected)
peptide.seq peptide sequence
peptide.score
precursor.leID low energy scan ID
precursor.mhp precursor mz (charge corrected)
precursor.retT precursor retention time
precursor.inten precursor intensity
precursor.z precursor charge
precursor.mz precursor mz
precursor.Mobility precursor ion mobility
errorppm
pval
qval
BH
Bonferroni
predictedRt predicted retention time after retention time correction
sdRt standard deviation of the retention time prediction
matchedEMRTs comma-separated list of matched EMRTs
spectrumID high energy scan Id (quantitation)
rt_min retention time in minutes (quantitation)
mwHPlus mz (quantitation)
charge charge (quantitation)
Intensity intensity (quantitation)
Counts counts (quantitation)
clust_drift ion mobility (quantitation)
isFid
ion_ID single ion/fragment ID (quantitation)
ion_z single ion/fragment charge (quantitation)
ion_iso single ion/fragment isotop (quantitation)
ion_area
ion_counts single ion/fragment counts (quantitation)
Model
isotopicDistr list of isotopic distribution (format: charge_isotope:intensity;)
matched.quant.spectrumIDs comma-separated list of matched quantitation spectra IDs
precursor.leID.quant precursor low energy scan ID (quantitation)
idSource
synapterPlgsAgreement agree/disagree between PLGS and synapter
FragmentMatching fragment matching result
matchedEMRTs.beforeFilterUniqueMatches comma-separated list of matched EMRTs before filterUniqueMatches
matchedEMRTs.beforeFilterNonUniqueMatches comma-separated list of matched EMRTs before filterNonUniqueMatches
matchedMultipleIdentEMRTs matches multiple identification EMRTs TRUE/FALSE
intensityCorrectionFactor applied intensity correction factor (generated by intensityModel)

MergedPeptides.csv

Column Description
peptide.seq peptide sequence
protein.Accession.ident UniProt Accession Number (identification)
protein.Description.ident Description
protein.dataBaseType.ident
protein.falsePositiveRate.ident
peptide.matchType.ident
peptide.mhp.ident peptide mz (charge corrected) (identification)
peptide.score.ident
precursor.leID.ident low energy scan ID (identification)
precursor.mhp.ident precursor mz (charge corrected) (identification)
precursor.retT.ident precursor retention time (identification)
precursor.inten.ident precursor intensity (identification)
precursor.z.ident precursor charge (identification)
precursor.mz.ident precursor mz (identification)
precursor.Mobility.ident precursor ion mobility (identification)
errorppm.ident
pval.ident
qval.ident
BH.ident
Bonferroni.ident
protein.Accession.quant UniProt Accession Number (quantitation)
protein.Description.quant Description
protein.dataBaseType.quant
protein.falsePositiveRate.quant
peptide.matchType.quant
peptide.mhp.quant peptide mz (charge corrected) (quantitation)
peptide.score.quant
precursor.leID.quant low energy scan ID (quantitation)
precursor.mhp.quant precursor mz (charge corrected) (quantitation)
precursor.retT.quant precursor retention time (quantitation)
precursor.inten.quant precursor intensity (quantitation)
precursor.z.quant precursor charge (quantitation)
precursor.mz.quant precursor mz (quantitation)
precursor.Mobility.quant precursor ion mobility (quantitation)
errorppm.quant
pval.quant
qval.quant
BH.quant
Bonferroni.quant
deltaRt difference between identification and quantitation run in retention time
intenRatio intensity ratio between identification and quantitation run in retention time

QuantPeptides.csv

Column Description
protein.Accession UniProt Accession Number
protein.Description Description
protein.dataBaseType
protein.falsePositiveRate
peptide.matchType
peptide.mhp peptide mz (charge corrected)
peptide.seq peptide sequence
peptide.score
precursor.leID low energy scan ID
precursor.mhp precursor mz (charge corrected)
precursor.retT precursor retention time
precursor.inten precursor intensity
precursor.z precursor charge
precursor.mz precursor mz
precursor.Mobility precursor ion mobility
errorppm
pval
qval
BH
Bonferroni