Man pages for qzhang503/proteoQ
Processing and Informatic Analysis of Mass Spectrometrirc Data

aa_residuesMasses of amino acid residues.
add_col_rawfileAdds column 'raw_file'.
add_cols_atPads columns to a placeholder data frame.
add_custom_entrezAdds custom Entrez IDs and optional overwriting species
add_empaiAdds column "prot_empai"
add_entrezAdds Entrez IDs
add_entry_idsAdds numeric indices for peptides or proteins
add_fasta_attrsHelper of parse_fasta.
add_mascot_pepseqmodAdds the 'pep_seq_mod' field to Mascot PSMs
add_mascot_rawAdds RAW_File column
add_maxquant_pepseqmodAdds the 'pep_seq_mod' field to MaxQuant PSMs
add_mbr_psmsAdds MBR PSMs from psmC
add_mean_devAdds mean-deviation
add_mod_confAdds column "pep_var_mod_conf"
add_msfragger_pepseqmodAdds the 'pep_seq_mod' field to MSFragger PSMs
add_msgf_pepseqmodAdds the 'pep_seq_mod' field to PSMs.
add_n_pepexpzCalculates the number of unique charge states of peptides.
add_pep_retsdAdds the standard deviation in the retention times of...
add_pepseqmodAdds the 'pep_seq_mod' field to PSMs.
add_prot_descHelper of parse_fasta.
add_prot_icoverFinds peptide abundance indexes.
add_quality_colsAdds columns 'pep_n_psm', 'prot_n_psm' and 'prot_n_pep'.
add_refseq_geneAdds gene IDs for RefSeq
add_shared_genesFind peptides that are shared by genes.
add_shared_prot_accs_mfFinds the shared protein accessions when using MSFragger.
add_shared_sm_genesFind peptides that are shared by genes.
add_sm_pepseqmodAdds the 'pep_seq_mod' field to MaxQuant PSMs
aggrLFQsAggregation of LFQ intensity.
aggrNumLCMSAggregates data from the same TMT_Set at different...
aggrNumsSummarizes numeric values
aggrTopnSums top_n
anal_KinSubPSP outputs of kinase-substrate interactions
analNMFNMF analysis
anal_pepNMFNMF Classification
anal_prnStringSTRING outputs of protein-protein interactions
anal_prnTrendTrend analysis of protein data
analTrendTrend analysis
annot_from_toHelper to map 'SYMBOL' to 'ENTREZID'
annotKinAdds kinase annotation
annot_KinSubAnnotates kinase-substrate interactions
annotPepposAnnotation of peptide positions and adjacent amino acid...
annotPrnAdds protein annotation
annotPSMAnnotates PSM results
annot_stringdbAnnotates protein STRING ids
arrangers_in_callArranges rows
assign_duppepsAssign duplicated peptides to a leading protein
batchPSMheaderProcesses Mascot PSMs
byfile_gspahmA helper function for gspaHM by input file names
byfile_plotVolcanoPlot volcanos
byfml_gspahmA helper function for gspaHM by formula names
byfml_volcanoFormula specific volcano plots
c2_msig_hsEntrez IDs of human molecular signatures.
c2_msig_mmEntrez IDs of mouse molecular signatures.
c2_msig_rnEntrez IDs of rat molecular signatures.
calc_avgpepAveraged peptide molecular weight (for proteins)
calc_coverCalculates protein percent coverage
calc_lfq_log2rHelper: calculates LFQ log2FC.
calclfqPepIntsCalculates 'pep_tot_int', 'pep_razor_int' and...
calclfqPepNumsCalculates log2FC of peptides based on LFQ intensity.
calc_lfq_prnnumsAdds the 'total', 'razor' and 'unique' intensities of...
calc_pep_retsdCalculates the standard deviation in the retention times of...
calcPeptideCalculates peptide data for individual TMT experiments
calc_sd_fctsCalculates standard deviations and the corresponding factors...
calc_sd_fcts_psmCalculates PSM SDs
calcSD_SplexCalculates CV per TMT_Set and LCMS_injection
calcTMTLabsCalculates labeling efficiency
calc_tmt_prnnumsHelper: calculates the TMT log2FC and reporter-ion intensity...
center_dfUpdates df after normalization.
channelInfoExtracts the channel information in TMT experiments
check_aes_lengthChecks lengths of aesthetics.
check_channel_prefixAdds the 'TMT-' prefix.
check_depreciated_argsChecks depreciated arguments
check_dotsChecks duplicate argments in 'dots'
checkdots_analTrendCheck the dot-dot-dot of anal_prnTrend.
check_dups_at_lcms_and_sidChecks duplicated Sample_IDs in different LCMS_Injection's...
check_dup_unimodsChecks duplicated 'Anywhere' variable modifications.
check_empty_rowsRemoves rows of all NA values
check_exptfrac_rawsChecks the consistency in RAW_File between expt_smry.xlsx and...
check_formalArgsChecks conflicts in function arguments.
check_formalArgs2Checks conflicts in function arguments.
check_frac_multipsmsChecks the PSM_File in frac_smry.xlsx
check_ggplot_aesChecks missing values in a ggplot2 object.
check_gset_nmsChecks 'gset_nms'
check_lfq_exptrawsChecks duplicated RAW_Files in expt_smry.xlsx for LFQ.
check_metadata_integersChecks the integerish of columns.
check_mq_dfCompare sample IDS between MaxQuant results and...
check_optional_colsChecks the default columns in metadata.
check_rawsFinds mismatches in RAW file names
check_required_colsChecks the presence of required columns in metadata.
check_tmt126_rowChecks the rows TMT-126 in metadata.
check_tmt_chans_vs_levsChecks the consistency between TMT_Channel's and TMT_level's.
check_tmt_emptyidsChecks the uniqueness of Sample_ID for Empty's.
check_tmt_mixplexesChecks TMT_Channel after check_channel_prefix where "126"...
check_tmt_ncStandardizes TMT channel name.
check_tmt_plexStandardizes TMT-plexes.
check_tmt_rawfilesChecks the uniqueness of RAW_File per TMT_Set and...
check_tmt_refChecks the 'Reference' channels in metadata
check_tmt_sampleidsChecks the counts of Sample_ID under each TMT_Set and...
check_unnamed_colsChecks the columns without names in metadata.
cleanupPSMCleans Up PSM results
cluegoClueGO via API
cmbn_metaCombines data with metadata
colAnnotSets up the column annotation in heat maps
concat_fml_dotsConcatenates formula(s) to varargs of dots
contain_strHelper of row filtration
cos_simCosine similarity.
count_pepmissPeptide mis-cleavage counts
count_phosphopepsCounts phospho.
create_db_pathHelper to create 'db_path'
create_os_lookupcreate a lookup table and remove duplicated entries
dblTrimData normalization
deduce_mod_indexesDeduces mod_indexes.
Dixon_outliersOutlier removals with Dixon's method
dixon_testOutlier removals with Dixon's method
dl_msigHelper to download 'gmt'
env_whereFinds the environment of a function
extract_mq_intsExtracts MaxQuant intensity values and calculates log2FC.
extract_psm_rawsExtracts the names of RAW MS files from PSM data
extract_rawsExtracts RAW MS file names
filterDataFilters rows by variance quantiles
filters_in_callFilters rows
find_abbr_speciesHelper to find the two-letter character string of abbreviated...
find_delimFinds the deliminator of a file.
find_fit_nmsFinds sample IDS for used in the current fitting.
find_fn_basesFinds the base names of files
find_fn_extsFinds the extensions of files
find_human_orthologsHelper to find human orthologs
find_int_colsFinds the columns of reporter-ion intensity.
find_mascot_plexFinds the plexes according to the Mascot outputs.
find_mascot_psmrawsFinds the names of Mascot PSM files.
find_mascot_tmtplexFinds the TMT-plex from Mascot PSM exports
find_mascot_vmodsFinds the variable modifications.
find_mf_psmrawsFinds the names of MSFragger PSM files.
find_mod_indexesQFinds mod_indexes.
find_mq_psmrawsFinds the names of MaxQuant PSM files.
find_n_compChecks 'n_comp'
find_NorZFinds the patterns of log2FC columns.
find_padding_posFinds the padding positions of TMT channels.
find_pep_posFinds peptide start and end positions
find_pq_psmrawsFinds the names of proteoQ PSM files.
find_preceding_colnmHelper: finds the column name before 'to_move'.
find_pri_dfhelper for finding input 'df'
find_prot_family_rowsHelper: finds the row indexes of a protein within a family
find_psmQ_filesFinds the list of psmQ files.
find_ratio_colsFinds the columns of reporter-ion ratios.
find_search_engineFinds the type of search engine
find_sec_dfHelper for finding input 'df' (not currently used).
find_shared_protsFinds peptides that are shared by proteins.
find_sm_psmrawsFinds the names of Spectrum Mill PSM files.
fitKernelDensityData normalization
fixBrukerMGFFix the 'File' field in 'Title' lines.
fml2massStandarizes mixtured MSGF formulas and masses to monoisotopic...
fml_gseaProtein GSEA by formula(s) in 'pepSig' or 'prnSig'
fml_gspaHelper of GSPA.
fmt_num_colsFormats numeric columns
fullVolcanoVolcano plots for all proteins or peptides in a data set
geom_lower_textGeom plot for ggpairs
geom_tablePrints table in ggplot2 images
get_col_typesGets column types.
get_full_entrezHelper to get a complete list of 'ENTREZID' from 'egUNIPROT'
get_gl_dat_dirFetches global 'dat_dir'.
gg_imgnameChecks file names for ggsave
gn_rollupRolls up genes
go_sets_hsEntrez IDs of human gene-ontology annotations.
go_sets_mmEntrez IDs of mouse gene-ontology annotations.
go_sets_rnEntrez IDs of rat gene-ontology annotations.
greedysetcoverGreedy set cover.
Grubbs_outliersOutlier removals with Grubbs's method
grubbs_testOutlier removals with Grubbs' method
gspa_colAnnotSets up the column annotation in heat maps
gspaHMPlots distance heat map of GSPA
gspaMapVolcano plots of protein 'log2FC' under gene sets
gspa_summary_limmaGSPA pVal calculations using limma
gspa_summary_meangspa pVal calculations using geomean
gspaTestPerform GSPA tests
gsvaTestPerform GSVA tests
gsVolcanoVolcano plots of protein 'log2FC' under given gene sets
hdeduce_mod_indexesHelper of deduce_mod_indexes.
hfind_fit_nmsHelper of find_fit_nms.
hfind_shared_protsHelper of find_shared_prots.
hparse_fastaHelper of parse_fasta by accession type.
hsubColnamesHelper of newColnames.
identical_dotsCompares dot-dot-dot between prior and current
imputeNAImputation of NA values
info_analFunction factories for informatic analysis
ins_cols_afterRe-order columns in a data frame
is_all_nanFinds all-NaN column(s)
is_trivial_colFinds a trivial column
is_trivial_dblFinds a trivial vector
join_mgfsJoins MGF data to MSGF outputs.
kegg_sets_hsEntrez IDs of human KEGG annotations.
kegg_sets_mmEntrez IDs of mouse KEGG annotations.
kegg_sets_rnEntrez IDs of rat KEGG annotations.
kinase_lookupLookups of human or mouse kinases.
kinsub_hsKinase (in gene name) and the the entrez IDs of substrates
kinsub_mmKinase (in gene name) and the the entrez IDs of substrates
kinsub_rnKinase (in gene name) and the the entrez IDs of substrates
KinSubTestAnalysis of kinase-substrate interactions
labEffPSMTMT labeling efficiency
lgl_cleanupUpdates data groups of 'log2_R_' and 'I_' etc. by logical...
list_to_dataframeLists to a data frame
lm_gspasignificance tests of pVals between the up and the down...
lm_summaryModel summary
load_crapsLoads cRAPs
load_dbsLoads species-specific Databases
load_exptsLoads TMT or LFQ experiments
load_fastaLoads fasta
load_ls_groupLoads label_scheme or label_scheme_group.
load_priorLoads prior Peptide.txt
load_psmCLoads psmC.txt
load_stringdbsLoads species-specific databases of STRING
locate_outliersLocates the positions of outliers
make_clsMake GSEA cls
make_frac_smryMakes new frac_smry.xlsx.
make_gctMake GSEA gct
make_mascot_intensitiesDefines the intensity columns of Mascot outputs.
make_mascot_ratiosDefines the ratio columns of Mascot outputs.
make_mq_metaProcesses MaxQuant mqpar.xml
make_mq_meta2Processes MaxQuant mqpar.xml
map_essentialHelper for mapping between gene sets and essential gene sets
map_peps_protsHelper: maps peptides to possible proteins
map_to_entrezMap UniProt or Refseq accessions to Entrez IDs
map_to_entrez_os_nameMap uniprot or refseq to entrez (not currently used)
mart_hsBioMart-Ensembl databases for human proteins.
mart_mmBioMart-Ensembl for mouse proteins.
mart_rnBioMart-Ensembl for rat proteins.
mascot_refseq2uniprotHelper function
match_call_argMatches the arg to anal_prnGSPA
match_fmlsMatches formulas to those in calls to pepSig or prnSig
match_gset_nmsMatches gset_nms to prnGSPA.
match_logi_gvA match to a global logical variable
match_pepSig_scale_log2rMatches scale_log2r
match_prnSig_scale_log2rMatches scale_log2r
maxquant_refseq2uniprotHelper function
mcPSMMedian-centering normalization of PSM data
med_summarise_keysSummary of peptide keys by mean or geomean
mergePepMerge peptide table(s) into one
mfixBrukerMGFBatch-fixing of Bruker MGF files.
mmbr_psmsHelper of smbr_psms.
model_onechannelFactorial model formula for interaction terms. All factors...
mprocBrukerMGFBatch-reprocessing of Bruker MGF files.
mq_modsA list of MaxQuant modifications.
msubsetBrukerMGFParallel subsetBrukerMGF
my_complete_casesComplete cases among sample IDs in label_scheme_sub, not...
my_custom_corCustom correlation plots
my_distA wrapper of dist with the handling of partial argument...
my_geomeanGeometric mean
my_padjAdjusted pVal
my_pheatmapA wrapper of pheatmap
my_sum_nSums top-n.
my_tolowerTo lower cases
my_unionThe union of named list
my_upperTo upper cases
my_which_maxFinds the x at max density.
na_genes_by_accHelper of parse_fasta.
names_pos-setPrefix form of colnames(x)[c(2, 5, ...)] for use in pipes
na_single_lfqTrivializes data rows with single LFQ intensity
na_species_by_orgHelper of parse_fasta.
na_zeroIntensityReplaces zero intensity with NA
newColnamesMake new column names
n_LCMSFinds the maximum number of LCMS injections under the same...
nmix_paramsHelper of fitKernelDensity.
normMulGauData normalization
normPep_MplexCombines peptide reports across multiple experiments.
normPSMStandardization of PSM
normSDData normalization
not_all_NAFinds not-all-NA column(s)
not_all_nanFinds non-all-NaN column(s)
not_all_zeroFinds not-all-zero column(s)
not_allzero_rowsFinds all zero rows
n_TMT_setsFinds the number of multiplex TMT experiments
ok_existing_paramsChecks the suitability of existing param files for MGKernel
ok_file_ncompCompares to prior n_comp value.
ok_min_sizechecks the size of a gene set
order_mascot_psm_colsOrders Mascot PSM columns
order_psm_colsOrders PSM columns.
pad_grp_samplesPads sample groups.
pad_mascot_channelsPads Mascot TMT channels to the highest plex
pad_mascot_fieldsPads Mascot PSM exports
pad_mf_channelsPads MSFragger TMT channels to the highest plex.
pad_mq_channelsPads MaxQuant TMT channels to the highest plex.
pad_psm_fieldsPads PSM exports.
pad_sm_channelsPads Spectrum Mill TMT channels to the highest plex
pad_tmt_channelsPads TMT channels to the highest multiplex.
parse_accDetermines the protein accession type from PSM tables
parse_col_selectParses 'col_select'.
parse_fastaParses FASTA for accession lookups
parse_filenameParses file name.
p_dixonOutlier removals with Dixon's method
Pep2PrnInterim protein data
pep_mq_lfqHandling of MaxQuant peptide.txt
pep_mq_lfq2Total, razor and unique intensity of peptides
pep_to_prnHelper of Pep2Prn
p_grubbsOutlier removals with Grubbs' method
plotCorrCorrelation plots
plot_corr_subMake correlation plots
plotEucDistPlots EucDist
plotHistoPlots histograms
plotHMMakes heat maps
plotLDAPlots LDA
plotMDSPlots MDS
plot_metaNMFHeat maps of metagenes from NMF
plotNMFCoefPlots coef results from NMF analysis
plotNMFConPlots consensus results from NMF analysis
plotNMFmetaPlots coef results from NMF analysis
plotPCAPlots PCA
plot_pepNMFConNMF plots
plot_prnTrendVisualization of trend results
plotTrendPlots trends
plot_vennPlots Venn.
plotVolcanoVolcano plots
pre_mq_metaUpdates MaxQuant experimentalDesignTemplate.txt
prepDMPrepares data for analysis
prepFmlPrepare formulas
prep_folded_tdataPrepares folded, transposed data
prep_fraction_schemeLoads the information of analyte prefractionation
prepGODownload and prepare gene ontology
prep_gspaHelper of GSPA
prep_label_schemeProcesses the metadata of TMT experiments
prepMSigPreparation of Molecular Signatures
prep_rangeStandardizes range values.
prepStringDownloads and prepares STRING databases
prn_annot_crapLookups of cRAP proteins.
prnCorr_logFCCorrelation plots
prnEucDistDistance plots
prnGSEAProtein GSEA
prnGSPAGSPA of peptide data
prnGSPAHMHeat map visualization of GSPA results
prnGSVAGSVA of protein data
prnHistHistogram visualization
prnHMVisualization of heat maps
prnLDALDA plots
prnMDSMDS plots
prnPCAPCA plots
prnSigSignificance tests of peptide/protein log2FC
prnVolVolcano plots
procBrukerMGFReprocesses of Bruker MGF files.
procBrukerMGF_v1Reprocesses of Bruker MGF files.
proc_gafHelper to save 'gaf' without header
proc_gmtHelper to save 'gmt'
procMSGFmodsProcesses MSGF modifications.
proc_oboHelper to save 'obo' without header
procPSMsProcesses PSMs.
procTMT0Helper in reading TMTzero
proteo_hmMakes heat maps
proteoQproteoQ: A package for processing mass spectrometry data.
PSM2PepInterim peptide tables
psm_mcleanupParallel PSM cleanup
psm_mpurgeHelper of purgePSM
psm_msplitParallel splits of PSM tables
psm_to_pepHelper of PSM2Pep
purge_by_cvFilters data groups by a CV cut-off
purge_by_nFilters data groups by a minimal number of observations...
purge_by_qtFilters data groups by quantiles of CV
purgePepPurges peptide data
purgePSMPurges PSM data
pval_complete_casesHelper of comeplet cases.
q_dixonDistribution function
q_grubbsDistribution function
q_tableDistribution table
ratio_toCtrlCalculate the log2-ratio to the control group of samples
read_fastaReads a file in fasta format
read_metadataReads the metadata of expt_smry or frac_smry.
recheck_tmt_channelsRechecks the completeness of TMT_Channel.
recur_flattenFlattens lists recursively
refseq_entrez_hsLookups among RefSeq accessions, Entrez IDs and gene names...
refseq_entrez_mmLookups among RefSeq accessions, Entrez IDs and gene names...
refseq_entrez_rnLookups among RefSeq accessions, Entrez IDs and gene names...
reload_exptsReloads the "expt_smry.xlsx" and "frac_smry.xlsx"
reloc_colRelocates column "m/z" to be immediately before column...
reloc_col_afterRelocates column "to_move" immediately after column...
reloc_col_after_firstRelocates column "to_move" immediately after the first...
reloc_col_after_lastRelocates column "to_move" immediately after the last column.
reloc_col_beforeRelocates column "to_move" immediately before anchor column...
reloc_col_before_firstRelocates column "to_move" immediately before the first...
reloc_col_before_lastRelocates column "to_move" immediately before the last...
reorderColsRe-order columns in a data frame
reorderCols2Re-order columns in a data frame
reorder_filesRe-order file names
replace_by_rowoneReplaces values by the first row.
replace_cols_atReplaces columns in the original PSM table.
replace_empty_with_naReplaces 'Empty' 'Sample_ID"s with NA.
replace_na_genesReplaces NA genes (not currently used)
replace_na_with_emptyReplaces NA sample IDs with Empty.1 etc.
replace_NorZ_namesReplaces column names to get Sample_ID(s).
replace_trivial_with_naReplaces a trivial vector with NA values.
rep_ls_groupsReplicates new label_scheme with new Sample_IDs by group_ids.
rm_cols_mqpsmRemoves columns from PSM table
rm_fully_empty_tmt_setsRemoves fully empty TMT sets.
rmPSMHeadersRemoves PSM headers
rm_pval_whitespaceChecks file names for ggsave
rm_sglval_colsRemoves single-value columns
Rosner_outliersOutlier removals with Rosner's method
rowVarsRow Variance
rptr_violinViolin plots of reporter-ion intensity per TMT_Set and...
save_callSaves the arguments in a function call
scoreEucDistScores Euclidean distance
scoreLDAScores LDA
scoreMDSScores MDS
scorePCAScores PCA
sd_violinViolin plots of CV per TMT_Set and LCMS_injection
set_cutpointsGenerates cut points.
set_cutpoints2A wrapper of 'set_cutpoint'.
set_dat_dirSets global 'dat_dir'
set_db_outnameHelper to set the output file name for a data base
set_ggsave_dotsSets dot-dot-dot for ggsave.
setHMColorCustomizes the colors in column annotation
setHMlimsSets the upper and the lower limits in the range of heat maps
set_mascot_colnmsSets names for Mascot ratio and intensity columns.
sigTestSignificance tests
simple_label_schemeSimplifies label schemes from 'label_scheme_full'
simulUniprotPSMGenerate simulated UniProt results from RefSeq PSM data
single_mq_prntableCheck the single presence of MaxQuant proteinGroups[...].txt.
smbr_psmsSingle MBR.
sort_tmt_lcmsSorts by the indexes of TMT_Set and LCMS_Injection
spline_coefscalculates the median-centered x's positions by spline points
splitPSMSplits PSM tables
splitPSM_mfSplits MSFragger PSM tables
splitPSM_mqSplits PSM tables
splitPSM_msgfSplits MSGF PSM tables
splitPSM_pqSplits PSM tables from matchMS.
splitPSM_smSplits PSM tables from 'Spectrum Mill'
sp_lookupSpecies lookup
sp_lookup_goHelper to look up GO species
sp_lookup_UlSpecies lookup UpperLower (Ul)
spreadPepNumsSpreads peptide numbers.
standPepStandardize peptide results
standPrnStandardize protein results
stringTestString analysis
subsetBrukerMGFSubsets Bruker's MGF data
subset_fastaSubsets fasta by accession type
subset_keepattrSubsets elements with attributes kept.
subset_volcano_dfSets data for volcan plots.
sumdnormData normalization
summ_vennVenn counts.
syn_empty_channelsSynchronizes Sample_ID(s) for Empty samples.
taxid_lookupTaxonomy lookup
taxid_lookup_revReversed taxonomy lookup
TMT_levelsFinds the factor levels of TMT labels
TMT_plexFinds the multiplexity of TMT labels
TMT_plex2Finds the multiplexity of TMT labels from previously made...
TMT_top_nAverage top_n
tmt_wtmeanCalculates weighted mean
to_complete_casesForces 'complete_cases = TRUE' at 'impute_na = FALSE'
to_csv_Converts a data frame column to a csv vector
to_linfcConverts log2FC to linear fold changes
triv_optcols_at_emptyTrivializes optional columns for Empty samples.
Uni2EntrezMap UniProt accessions to Entrez IDs
uniprot_entrez_hsLookups between UniProt accessions and Entrez IDs for human...
uniprot_entrez_mmLookups between UniProt accessions and Entrez IDs for mouse...
uniprot_entrez_rnLookups between UniProt accessions and Entrez IDs for rat...
uniprot_speciesA list of UniProt taxon IDs and Species names.
update_frac_smryUpdates pre-existed frac_smry.xlsx.
update_nodesHelper of make_mq_meta2
use_mq_peptableCheck the single presence of MaxQuant peptides[...].txt.
vararg_secmsgHelper for finding input 'df'.
write_excel_wbWrapper of writing Excel
write_fastaWrites fasta
write_metadataWrites the metadata of label_scheme or fraction_scheme.
qzhang503/proteoQ documentation built on March 16, 2024, 5:27 a.m.