A Toolbox for the Analysis of Proteomics Data


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Documentation for package ‘SafeQuant’ version 2.3.1

Help Pages

addIdQvalues Add identification leve q-values to ExpressionSet (calculated based on target-decoy score distribution)
addScaffoldPTMFAnnotations Add scaffold ptm annotaitons to tmt experiment
barplotMSSignal Barplot of ms-signal per column
COLORS color vector
createExpDesign Create Experimental Design
createExpressionDataset Create ExpressionSet object
createPairedExpDesign Create Paired Expdesign
cvBoxplot C.V. boxplot
expDesignTagToExpDesign Create experimental design data.frame from user input string
export Export content of safeQuantAnalysis object
getAAProteinCoordinates Get amino acid coordinates on protein
getAllCV Calculate Coefficiant of Variance per feature (Relative standard Deviation) per Condition
getAllEBayes Perform statistical test (mderated t-test), comparing all case to control
getBaselineIntensity Get signal at zscore x (x standard deviations below mean)
getCV Calculate Coefficiant of Variance per feature (Relative standard Deviation)
getExpDesignProgenesisCsv Parse Experimental Design from Progenesis Csv Export
getGlobalNormFactors Get normalization factors. calculated as summed/median signal per run (column) over summed/median of first run.
getIBAQEset Calculate intensity-based absolute-protein-quantification (iBAQ) metric per protein
getIdLevelQvals Calculates identification level q-values based on target-decoy score distributions
getImpuritiesMatrix Get Thermo TMT impurity matrix
getIntSumPerProtein Sum up raw intensities per protein and channel. keep track of number of summed spectra and unique peptides
getLoocvFoldError Leave-One-Out Cross Validate Qunatification Model
getMaxIndex get index of max in vecotr of numeric values
getMeanCenteredRange Get modification coordinates on protein
getModifProteinCoordinates Get modification coordinates on protein
getMotifX Create motif-x peptide annotation
getNbDetectablePeptides Get number peptides passing defined length criteria
getNbMisCleavages Get number of mis-cleavages perp peptide
getNbPeptidesPerProtein Get number of peptides per protein
getNbSpectraPerProtein Get number of spectra per protein
getPeptides Digest protein
getRatios Calculate ratios, comparing all case to control
getRTNormFactors Get retentiontime base normalization factors
getScoreCutOff Get score cutoff for a given fdr cut-off
getSignalPerCondition Summarize replicate signal per condition (min)
getTopX Calculate Mean of X most intense features
getUserOptions Read User Specified Command Line Options
globalNormalize Normalize, Norm factors calculated as median signal per run (column) over median of first run.
hClustHeatMap Hierarchical clustering heat map, cluster by runs intensity, features by ratio and display log2 ratios to control median
isCon Check if protein is a contaminant entry
isDecoy Check if protein is a decoy entry
isStrippedACs Check if ACs are in "non-stripped" uniprot format e.g. "sp|Q8CHJ2|AQP12_MOUSE"
maPlotSQ ma-plot
missinValueBarplot Plot Percentage of Features with with missing values
option_list Command Line Option List
pairsAnnot Plot lower triangle Pearsons R^2. Diagonal text, upper triangle all against all scatter plots with lm abline
parseMaxQuantProteinGroupTxt Parse MaxQuant Protein Group Txt
parseProgenesisFeatureCsv Parse Progenesis Feature Csv Export
parseProgenesisPeptideMeasurementCsv Parse Progenesis Peptide Measurement Csv Export
parseProgenesisProteinCsv Parse Progenesis Protein Csv
parseScaffoldPTMReport Parse scaffold PTM Spectrum Report
parseScaffoldRawFile Parse scaffold output .xls file (RAW export)
perFeatureNormalization Per Feature Normalization
plotAbsEstCalibrationCurve Plot absolut Estimation calibration Curve
plotAdjustedVsNonAdjustedRatio Plot adjusted tmt ratios vs original ratios
plotExpDesign Display experimental design, high-lighting the control condition
plotIdScoreVsFDR Plot FDR vs. identification score
plotMSSignalDistributions Plot ms.signal distributions
plotNbIdentificationsVsRT Plot the number of identified Features per Reteintion Time minute.
plotNbValidDeFeaturesPerFDR Plot Total Number of diffrentially Abundant Features (applying ratio cutoff) vs. qValue/pValue for all conditions
plotPrecMassErrorDistrib Plot Precursor Mass Error Distribution
plotPrecMassErrorVsScore Plot precursorMass error v.s score highlighting decoy and displaying user specified user specified precursor mass filter
plotQValueVsPValue Plot qValue vs pValue
plotROC Plot Number of Identifications vs. FDR
plotRTNorm Plot all retention time profile overalying ratios
plotRTNormSummary Plot all retention time normalization profiles
plotScoreDistrib Plot identifications target decoy distribution
plotVolcano Plots volcano, data points colored by max cv of the 2 compared conditions
plotXYDensity Scatter plot with density coloring
purityCorrectTMT Correct channel intensities based on Reporter ion Isotopic Distributions
removeOutliers Set value to NA if it deviatves with more than 1.5 * IQR from lower/upper quantile
rollUp Roll up feature intensites per unique colum combination
rtNormalize Normalization data per retention time bin
safeQuantAnalysis safeQunat s3 class
setNbPeptidesPerProtein Set nbPeptides coulmn of featureData
setNbSpectraPerProtein Set nbPeptides coulmn of featureData
sqNormalize Normalize
standardise Standardise data
stripACs strip uniprot format e.g. "sp|Q8CHJ2|AQP12_MOUSE" -> Q8CHJ2