Performs quality control based on the information available in
the MaxQuant evidence.txt file.
artmsQualityControlEvidenceExtended(
evidence_file,
keys_file,
output_dir = "qc_extended",
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_dir |
(char) Name for the folder to output the results plots.
Default is "qc_extended". |
| 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)
#> ---------------------------------------------