Performs quality control based on the information available in the MaxQuant evidence.txt file.

artmsQualityControlEvidenceExtended(
  evidence_file,
  keys_file,
  output_name = "qcExtended_evidence",
  isSILAC = FALSE,
  plotPSM = TRUE,
  plotIONS = TRUE,
  plotTYPE = TRUE,
  plotPEPTIDES = TRUE,
  plotPEPTOVERLAP = TRUE,
  plotPROTEINS = TRUE,
  plotPROTOVERLAP = TRUE,
  plotPIO = TRUE,
  plotCS = TRUE,
  plotME = TRUE,
  plotMOCD = TRUE,
  plotPEPICV = TRUE,
  plotPEPDETECT = TRUE,
  plotPROTICV = TRUE,
  plotPROTDETECT = TRUE,
  plotIDoverlap = TRUE,
  plotPCA = TRUE,
  plotSP = TRUE,
  printPDF = TRUE,
  verbose = TRUE
)

Arguments

evidence_file

(char or data.frame) The evidence file path and name, or data.frame

keys_file

(char or data.frame) The keys file path and name or data.frame

output_name

(char) prefix output name (no extension). Default: "qcExtended_evidence"

isSILAC

if TRUE processes SILAC input files. Default is FALSE

plotPSM

(logical) TRUE generates peptide-spectrum-matches (PSMs) statistics plot: Page 1 shows the number of PSMs confidently identified in each BioReplicate. If replicates are present, Page 2 shows the mean number of PSMs per condition with error bar showing the standard error of the mean. Note that potential contaminant proteins are plotted separately.

plotIONS

(logical) TRUE generates peptide ion statistics plot: A peptide ion is defined in the context of m/z, in other words, an unique peptide sequence may give rise to multiple ions with different charge state and/or amino acid modification. Page 1 shows the number of ions confidently identified in each BioReplicate . If replicates are present, Page 2 shows the mean number of peptide ions per condition with error bar showing the standard error of the mean. Note that potential contaminant proteins are plotted separately.

plotTYPE

(logical) TRUE generates identification type statistics plot: MaxQuant classifies each peptide identification into different categories (e.g., MSMS, MULTI-MSMS, MULTI-SECPEP). Page 1 shows the distribution of identification type in each BioReplicate

plotPEPTIDES

(logical) TRUE generates peptide statistics plot: Page 1 shows the number of unique peptide sequences (disregard the charge state or amino acid modifications) confidently identified in each BioReplicate. If replicates are present, Page 2 shows the mean number of peptides per condition with error bar showing the standard error of the mean. Note that potential contaminant proteins are plotted separately. Pages 3 and 4 show peptide identification intersection between BioReplicates (the bars are ordered by degree or frequency, respectively), and Page 4 shows the intersections across conditions instead of BioReplicates.

plotPEPTOVERLAP

(logical) TRUE Show peptide identification intersection between BioReplicates and Conditions

plotPROTEINS

(logical) TRUE generates protein statistics plot: Page 1 shows the number of protein groups confidently identified in each BioReplicate. If replicates are present, Page 2 shows the mean number of protein groups per condition with error bar showing the standard error of the mean. Note that potential contaminant proteins are plotted separately. Pages 3 and 4 show peptide identification intersection between BioReplicates (the bars are ordered by degree or frequency, respectively), and Page 4 shows the intersections across conditions instead of BioReplicates.

plotPROTOVERLAP

(logical) TRUE Show protein identification intersection between BioReplicates and Conditions

plotPIO

(logical) TRUE generates oversampling statistics plot: Page 1 shows the proportion of all peptide ions (including peptides matched across runs) fragmented once, twice and thrice or more. Page 2 shows the proportion of peptide ions (with intensity detected) fragmented once, twice and thrice or more. Page 3 shows the proportion of peptide ions (with intensity detected and MS/MS identification) fragmented once, twice and thrice or more

plotCS

(logical) TRUE generates charge state plot: Page 1 shows the charge state distribution of PSMs confidently identified in each BioReplicate.

plotME

(logical) TRUE generates precursor mass error plot: Page 1 shows the distribution of precursor error for all PSMs confidently identified in each BioReplicate.

plotMOCD

(logical) TRUE generates precursor mass-over-charge plot: Page 1 shows the distribution of precursor mass-over-charge for all PSMs confidently identified in each BioReplicate.

plotPEPICV

(logical) TRUE generates peptide intensity coefficient of variance (CV) plot: The CV is calculated for each feature (peptide ion) identified in more than one replicate. Page 1 shows the distribution of CV's for each condition, while Page 2 shows the distribution of CV's within 4 bins of intensity (i.e., 4 quantiles of average intensity).

plotPEPDETECT

(logical) TRUE generates peptide detection frequency plot: Page 1 summarizes the frequency that each peptide is detected across BioReplicates of each condition, showing the percentage of peptides detected once, twice, thrice, and so on (for whatever number of replicates each condition has).

plotPROTICV

(logical) TRUE generates protein intensity coefficient of variance (CV) plot: The CV is calculated for each protein (after summing the peptide intensities) identified in more than one replicate. Page 1 shows the distribution of CV's for each condition, while Page 2 shows the distribution of CV's within 4 bins of intensity (i.e., 4 quantiles of average intensity).

plotPROTDETECT

(logical) TRUE generates protein detection frequency plot: Page 1 summarizes the frequency that each protein group is detected across BioReplicates of each condition, showing the percentage of proteins detected once, twice, thrice, and so on (for whatever number of replicates each condition has). Page 2 shows the feature (peptide ion) intensity distribution within each BioReplicate (potential contaminant proteins are plot separately). Page 3 shows the density of feature intensity for different feature types (i.e., MULTI-MSMS, MULTI-SECPEP).

plotIDoverlap

(logical) TRUE generates pairwise identification heatmap overlap: Pages 1 and 2 show pairwise peptide and protein overlap between any 2 BioReplicates, respectively.

plotPCA

(logical) TRUE generates PCA and pairwise intensity correlation: Page 1 and 3 show pairwise peptide and protein intensity correlation and scatter plot between any 2 BioReplicates, respectively. Page 2 and 4 show Principal Component Analysis at the intensity level for both peptide and proteins, respectively.

plotSP

(logical) TRUE generates sample quality metrics: Page 1 shows missing cleavage distribution of all peptides confidently identified in each BioReplicate. Page 2 shows the fraction of peptides with at least one methionine oxidized in each BioReplicate.

printPDF

If TRUE (default) prints out the pdfs. Warning: plot objects are not returned due to the large number of them.

verbose

(logical) TRUE (default) shows function messages

Value

A number of QC plots based on the evidence file

Details

all the plots are generated by default

Examples

# Testing warning if files are not submitted test <- artmsQualityControlEvidenceExtended(evidence_file = NULL, keys_file = NULL)
#> ---------------------------------------------
#> artMS: EXTENDED QUALITY CONTROL (-evidence.txt based)
#> ---------------------------------------------