Back to Multiple platform build/check report for BioC 3.13 |
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This page was generated on 2021-10-15 15:06:19 -0400 (Fri, 15 Oct 2021).
To the developers/maintainers of the RMassBank package: - Please allow up to 24 hours (and sometimes 48 hours) for your latest push to git@git.bioconductor.org:packages/RMassBank.git to reflect on this report. See How and When does the builder pull? When will my changes propagate? here for more information. - Make sure to use the following settings in order to reproduce any error or warning you see on this page. |
Package 1594/2041 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | BUILD BIN | ||||||||
RMassBank 3.2.0 (landing page) RMassBank at Eawag
| nebbiolo1 | Linux (Ubuntu 20.04.2 LTS) / x86_64 | OK | ERROR | skipped | |||||||||
tokay2 | Windows Server 2012 R2 Standard / x64 | OK | OK | WARNINGS | OK | |||||||||
machv2 | macOS 10.14.6 Mojave / x86_64 | OK | OK | WARNINGS | OK | |||||||||
Package: RMassBank |
Version: 3.2.0 |
Command: C:\Users\biocbuild\bbs-3.13-bioc\R\bin\R.exe --arch x64 CMD check --no-multiarch --install=check:RMassBank.install-out.txt --library=C:\Users\biocbuild\bbs-3.13-bioc\R\library --no-vignettes --timings RMassBank_3.2.0.tar.gz |
StartedAt: 2021-10-15 04:39:14 -0400 (Fri, 15 Oct 2021) |
EndedAt: 2021-10-15 04:42:05 -0400 (Fri, 15 Oct 2021) |
EllapsedTime: 170.8 seconds |
RetCode: 0 |
Status: WARNINGS |
CheckDir: RMassBank.Rcheck |
Warnings: 8 |
############################################################################## ############################################################################## ### ### Running command: ### ### C:\Users\biocbuild\bbs-3.13-bioc\R\bin\R.exe --arch x64 CMD check --no-multiarch --install=check:RMassBank.install-out.txt --library=C:\Users\biocbuild\bbs-3.13-bioc\R\library --no-vignettes --timings RMassBank_3.2.0.tar.gz ### ############################################################################## ############################################################################## * using log directory 'C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank.Rcheck' * using R version 4.1.1 (2021-08-10) * using platform: x86_64-w64-mingw32 (64-bit) * using session charset: ISO8859-1 * using option '--no-vignettes' * checking for file 'RMassBank/DESCRIPTION' ... OK * checking extension type ... Package * this is package 'RMassBank' version '3.2.0' * package encoding: UTF-8 * checking package namespace information ... OK * checking package dependencies ... OK * checking if this is a source package ... OK * checking if there is a namespace ... OK * checking for hidden files and directories ... NOTE Found the following hidden files and directories: .BBSoptions .travis.yml These were most likely included in error. See section 'Package structure' in the 'Writing R Extensions' manual. * checking for portable file names ... OK * checking whether package 'RMassBank' can be installed ... WARNING Found the following significant warnings: Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/dot-parseTitleString.Rd:38: missing link 'compileRecord' Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/exportMassbank.Rd:11: missing link 'compileRecord' Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/exportMassbank.Rd:52: missing link 'compileRecord' Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/getAnalyticalInfo.Rd:71: missing link 'compileRecord' Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/toMassbank.Rd:79: missing link 'compileRecord' See 'C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank.Rcheck/00install.out' for details. * checking installed package size ... OK * checking package directory ... OK * checking 'build' directory ... OK * checking DESCRIPTION meta-information ... OK * checking top-level files ... OK * checking for left-over files ... OK * checking index information ... OK * checking package subdirectories ... OK * checking R files for non-ASCII characters ... OK * checking R files for syntax errors ... OK * checking whether the package can be loaded ... OK * checking whether the package can be loaded with stated dependencies ... OK * checking whether the package can be unloaded cleanly ... OK * checking whether the namespace can be loaded with stated dependencies ... OK * checking whether the namespace can be unloaded cleanly ... OK * checking dependencies in R code ... NOTE Unexported object imported by a ':::' call: 'MSnbase:::writeMgfContent' See the note in ?`:::` about the use of this operator. There are ::: calls to the package's namespace in its code. A package almost never needs to use ::: for its own objects: '.precursorTypes' * checking S3 generic/method consistency ... OK * checking replacement functions ... WARNING 'property<-' '\S4method{property<-}{RmbSpectrum2,character,ANY,logical,character}' '\S4method{property<-}{RmbSpectrum2,character,ANY,logical,missing}' '\S4method{property<-}{RmbSpectrum2,character,ANY,missing,character}' '\S4method{property<-}{RmbSpectrum2,character,ANY,missing,missing}' The argument of a replacement function which corresponds to the right hand side must be named 'value'. * checking foreign function calls ... OK * checking R code for possible problems ... NOTE .buildRecord.RmbSpectrum2: no visible global function definition for 'packageVersion' .findPattern: no visible global function definition for 'capture.output' .get.mol2formula: no visible global function definition for 'capture.output' .pubChemOnline: no visible global function definition for 'URLencode' .selfDefinedAccessionBuilder: no visible binding for global variable 'accessionBuilder' .selfDefinedAccessionBuilder: no visible global function definition for 'accessionBuilder' addPeaks: no visible global function definition for 'read.csv' analyzeMsMs.formula.optimized: no visible binding for global variable 'occurrenceMatrix' checkIsotopes: no visible global function definition for 'data' checkIsotopes: no visible binding for global variable 'msmsPeaks' checkIsotopes : <anonymous> : <anonymous>: no visible global function definition for 'points' createSpecsFromPeaklists: no visible global function definition for 'read.csv' deprofile.spline : <anonymous>: no visible global function definition for 'smooth.spline' deprofile.spline : <anonymous>: no visible global function definition for 'predict' findEIC: no visible global function definition for 'predict' findMsMsHRperxcms.direct : getRT : <anonymous>: no visible global function definition for 'median' findMsMsHRperxcms.direct: no visible global function definition for 'capture.output' gatherDataMinimal.spectrum: no visible binding for global variable 'cpd' getCSID: no visible global function definition for 'URLencode' getCactus: no visible global function definition for 'URLencode' getCompTox: no visible global function definition for 'URLencode' getCtsKey: no visible global function definition for 'URLencode' getCtsRecord: no visible global function definition for 'URLencode' getMolecule: no visible global function definition for 'capture.output' getMonoisotopicMass: no visible global function definition for 'data' getPcCHEBI: no visible global function definition for 'URLencode' getPcIUPAC: no visible global function definition for 'URLencode' getPcId: no visible global function definition for 'URLencode' getPcInchiKey: no visible global function definition for 'URLencode' getPcSDF: no visible global function definition for 'URLencode' getPcSynonym: no visible global function definition for 'URLencode' loadInfolist: no visible global function definition for 'read.csv' loadInfolist: no visible global function definition for 'read.csv2' loadList: no visible global function definition for 'read.csv' loadList: no visible global function definition for 'read.csv2' makeMollist: no visible global function definition for 'write.table' makeRecalibration: no visible global function definition for 'par' mbWorkflow: no visible global function definition for 'write.csv' mbWorkflow : <anonymous>: no visible binding for global variable 'filterOK' mbWorkflow : <anonymous>: no visible binding for global variable 'best' msmsRead: no visible global function definition for 'read.csv' msmsRead.RAW : getRT : <anonymous>: no visible global function definition for 'median' msmsRead.RAW: no visible global function definition for 'capture.output' msmsRead.ticms2: no visible global function definition for 'read.csv' msmsRead.ticms2: no visible global function definition for 'c.msmsWSspecs' newStep2WorkFlow: no visible global function definition for 'read.csv' parseMassBank: no visible binding for global variable 'type.convert' parseMassBank: no visible global function definition for 'flush.console' parseMbRecord: no visible binding for global variable 'type.convert' parseMbRecord: no visible global function definition for 'flush.console' plotMbWorkspaces: no visible global function definition for 'points' plotRecalibration: no visible global function definition for 'par' plotRecalibration.direct: no visible global function definition for 'predict' plotRecalibration.direct: no visible global function definition for 'lines' plotRecalibration.direct: no visible global function definition for 'heat.colors' processProblematicPeaks: no visible global function definition for 'write.csv' progressBarHook: no visible global function definition for 'txtProgressBar' progressBarHook: no visible global function definition for 'setTxtProgressBar' reanalyzeFailpeak: no visible binding for global variable 'mass.calc' recalibrate.identity: no visible global function definition for 'lm' recalibrate.linear: no visible global function definition for 'lm' recalibrate.loess: no visible global function definition for 'loess' recalibrate.mean: no visible global function definition for 'lm' recalibrateSingleSpec: no visible global function definition for 'predict' retrieveDataWithRetry: no visible global function definition for 'URLencode' toRMB : <anonymous>: no visible global function definition for 'median' show,mbWorkspace: no visible global function definition for 'str' updateObject,RmbSpectraSet: no visible global function definition for 'updateObjectFromSlots' Undefined global functions or variables: URLencode accessionBuilder best c.msmsWSspecs capture.output cpd data filterOK flush.console heat.colors lines lm loess mass.calc median msmsPeaks occurrenceMatrix packageVersion par points predict read.csv read.csv2 setTxtProgressBar smooth.spline str txtProgressBar type.convert updateObjectFromSlots write.csv write.table Consider adding importFrom("grDevices", "heat.colors") importFrom("graphics", "lines", "par", "points") importFrom("stats", "lm", "loess", "median", "predict", "smooth.spline") importFrom("utils", "URLencode", "capture.output", "data", "flush.console", "packageVersion", "read.csv", "read.csv2", "setTxtProgressBar", "str", "txtProgressBar", "type.convert", "write.csv", "write.table") to your NAMESPACE file. * checking Rd files ... NOTE prepare_Rd: dot-updateObject.RmbSpectrum2.formulaSource.Rd:12-14: Dropping empty section \value * checking Rd metadata ... WARNING Rd files with duplicated alias 'parseMassBank': 'parseMassBank.Rd' 'parseMbRecord.Rd' * checking Rd cross-references ... WARNING Missing link or links in documentation object 'dot-parseTitleString.Rd': 'compileRecord' Missing link or links in documentation object 'exportMassbank.Rd': 'compileRecord' Missing link or links in documentation object 'getAnalyticalInfo.Rd': 'compileRecord' Missing link or links in documentation object 'toMassbank.Rd': 'compileRecord' See section 'Cross-references' in the 'Writing R Extensions' manual. * checking for missing documentation entries ... WARNING Undocumented code objects: 'buildRecord' 'findMsMsHRperMsp.direct' 'mergePeaks' 'mergeSpectra' 'mergeSpectra.RmbSpectrum2List' 'property' 'property<-' Undocumented S4 classes: 'RmbSpectrum2' 'RmbSpectraSetList' 'RmbSpectraSet' 'RmbSpectrum2List' Undocumented S4 methods: generic '+' and siglist 'RmbSpectraSet,ANY' generic '+' and siglist 'RmbSpectrum2List,ANY' generic '+' and siglist 'Spectrum,numeric' generic '-' and siglist 'RmbSpectraSet,ANY' generic '-' and siglist 'RmbSpectrum2List,ANY' generic '-' and siglist 'Spectrum,numeric' generic 'buildRecord' and siglist 'RmbSpectraSet' generic 'buildRecord' and siglist 'RmbSpectrum2' generic 'cleanElnoise' and siglist 'RmbSpectraSet,numeric,numeric' generic 'cleanElnoise' and siglist 'RmbSpectrum2,numeric,numeric' generic 'cleanElnoise' and siglist 'data.frame,numeric,numeric' generic 'fillback' and siglist 'RmbSpectraSet' generic 'fillback' and siglist 'RmbSpectrum2' generic 'fillback' and siglist 'msmsWorkspace' generic 'mergePeaks' and siglist 'RmbSpectrum2' generic 'mergePeaks' and siglist 'Spectrum' generic 'mergePeaks' and siglist 'data.frame' generic 'mergePeaks' and siglist 'matrix' generic 'mergeSpectra' and siglist 'RmbSpectrum2List' generic 'normalize' and siglist 'RmbSpectrum2' generic 'normalize' and siglist 'RmbSpectrum2List' generic 'property' and siglist 'RmbSpectrum2,character' generic 'property<-' and siglist 'RmbSpectrum2,character,ANY,logical,character' generic 'property<-' and siglist 'RmbSpectrum2,character,ANY,logical,missing' generic 'property<-' and siglist 'RmbSpectrum2,character,ANY,missing,character' generic 'property<-' and siglist 'RmbSpectrum2,character,ANY,missing,missing' generic 'selectPeaks' and siglist 'RmbSpectraSet' generic 'selectPeaks' and siglist 'Spectrum' generic 'toMassbank' and siglist 'RmbSpectraSet' generic 'toMassbank' and siglist 'RmbSpectrum2' All user-level objects in a package (including S4 classes and methods) should have documentation entries. See chapter 'Writing R documentation files' in the 'Writing R Extensions' manual. * checking for code/documentation mismatches ... WARNING Functions or methods with usage in documentation object '.buildRecord.RmbSpectraSet' but not in code: 'compileRecord' Functions or methods with usage in documentation object 'getAnalyticalInfo' but not in code: 'gatherCompound' 'gatherSpectrum' Codoc mismatches from documentation object 'exportMassbank': exportMassbank Code: function(compiled, molfile = NULL) Docs: function(compiled, files, molfile) Argument names in docs not in code: files Mismatches in argument names: Position: 2 Code: molfile Docs: files Mismatches in argument default values: Name: 'molfile' Code: NULL Docs: Codoc mismatches from documentation object 'filterPeaksMultiplicity': filterPeaksMultiplicity Code: function(w, recalcBest = TRUE) Docs: function(peaks, formulacol, recalcBest = TRUE) Argument names in code not in docs: w Argument names in docs not in code: peaks formulacol Mismatches in argument names: Position: 1 Code: w Docs: peaks Position: 2 Code: recalcBest Docs: formulacol Codoc mismatches from documentation object 'findMz': findMz Code: function(cpdID, mode = "pH", ppm = 10, deltaMz = 0, retrieval = "standard", unknownMass = getOption("RMassBank")$unknownMass) Docs: function(cpdID, mode = "pH", ppm = 10, deltaMz = 0, retrieval = "standard") Argument names in code not in docs: unknownMass Codoc mismatches from documentation object 'problematicPeaks': problematicPeaks Code: function(sp) Docs: function(peaks_unmatched, peaks_matched, mode = "pH") Argument names in code not in docs: sp Argument names in docs not in code: peaks_unmatched peaks_matched mode Mismatches in argument names: Position: 1 Code: sp Docs: peaks_unmatched Codoc mismatches from documentation object 'reanalyzeFailpeaks': reanalyzeFailpeaks Code: function(w, custom_additions, mode, filterSettings = getOption("RMassBank")$filterSettings, progressbar = "progressBarHook") Docs: function(aggregated, custom_additions, mode, filterSettings = getOption("RMassBank")$filterSettings, progressbar = "progressBarHook") Argument names in code not in docs: w Argument names in docs not in code: aggregated Mismatches in argument names: Position: 1 Code: w Docs: aggregated reanalyzeFailpeak Code: function(mass, custom_additions, cpdID, mode, filterSettings = getOption("RMassBank")$filterSettings) Docs: function(custom_additions, mass, cpdID, counter, pb = NULL, mode, filterSettings = getOption("RMassBank")$filterSettings) Argument names in docs not in code: counter pb Mismatches in argument names (first 3): Position: 1 Code: mass Docs: custom_additions Position: 2 Code: custom_additions Docs: mass Position: 4 Code: mode Docs: counter Codoc mismatches from documentation object 'toMassbank': toMassbank Code: function(o, ...) Docs: function(mbdata) Argument names in code not in docs: o ... Argument names in docs not in code: mbdata Mismatches in argument names: Position: 1 Code: o Docs: mbdata * checking Rd \usage sections ... WARNING Undocumented arguments in documentation object 'annotator.default' 'formulaTag' Documented arguments not in \usage in documentation object 'annotator.default': 'type' Objects in \usage without \alias in documentation object '.buildRecord.RmbSpectraSet': 'compileRecord' Undocumented arguments in documentation object 'fillback' 'o' '...' Undocumented arguments in documentation object 'findEIC' 'polarity' 'msLevel' 'precursor' Undocumented arguments in documentation object 'findMsMsHR' 'enforcePolarity' 'polarity' Undocumented arguments in documentation object 'mergePeaks.df' 'peaks' 'dppm' 'dabs' 'int' Documented arguments not in \usage in documentation object 'processProblematicPeaks': 'mode' Undocumented arguments in documentation object 'selectPeaks' 'filter' 'enclos' 'peaks' 'noise' 'width' Documented arguments not in \usage in documentation object 'selectPeaks': 'good' 'bad' 'cleaned' 'best' Functions with \usage entries need to have the appropriate \alias entries, and all their arguments documented. The \usage entries must correspond to syntactically valid R code. See chapter 'Writing R documentation files' in the 'Writing R Extensions' manual. * checking Rd contents ... WARNING Argument items with no description in Rd object '.updateObject.RmbSpectrum2.formulaSource': 'w' * checking for unstated dependencies in examples ... OK * checking line endings in Makefiles ... OK * checking for GNU extensions in Makefiles ... OK * checking include directives in Makefiles ... OK * checking files in 'vignettes' ... OK * checking examples ... OK * checking for unstated dependencies in 'tests' ... OK * checking tests ... Running 'doRUnit.R' OK * checking for unstated dependencies in vignettes ... OK * checking package vignettes in 'inst/doc' ... OK * checking running R code from vignettes ... SKIPPED * checking re-building of vignette outputs ... SKIPPED * checking PDF version of manual ... OK * DONE Status: 8 WARNINGs, 4 NOTEs See 'C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank.Rcheck/00check.log' for details.
RMassBank.Rcheck/00install.out
############################################################################## ############################################################################## ### ### Running command: ### ### C:\Users\biocbuild\bbs-3.13-bioc\R\bin\R.exe --arch x64 CMD INSTALL --no-multiarch RMassBank ### ############################################################################## ############################################################################## * installing to library 'C:/Users/biocbuild/bbs-3.13-bioc/R/library' * installing *source* package 'RMassBank' ... ** using staged installation ** R ** inst ** byte-compile and prepare package for lazy loading ** help *** installing help indices converting help for package 'RMassBank' finding HTML links ... done CTS.externalIdSubset html CTS.externalIdTypes html RmbDefaultSettings html RmbSettings html add.formula html addMB html addPeaks html addPeaksManually html addProperty html aggregateSpectra html analyzeMsMs html annotator.default html archiveResults html checkIsotopes html checkSpectra html cleanElnoise html combineMultiplicities html createMolfile html dbe html deprofile html dot-buildRecord.RmbSpectraSet html dot-parseTitleString html finding level-2 HTML links ... done Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/dot-parseTitleString.Rd:38: missing link 'compileRecord' dot-updateObject.RmbSpectrum2.formulaSource html exportMassbank html Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/exportMassbank.Rd:11: missing link 'compileRecord' Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/exportMassbank.Rd:52: missing link 'compileRecord' fillback html filterLowaccResults html filterMultiplicity html filterPeakSatellites html filterPeaksMultiplicity html findEIC html findMass html findMsMsHR html findMsMsHR.direct html findMsMsHR.ticms2 html REDIRECT:topic Previous alias or file overwritten by alias: C:/Users/biocbuild/bbs-3.13-bioc/R/library/00LOCK-RMassBank/00new/RMassBank/help/findMsMsHR.ticMS2.html findMsMsHRperxcms html findMz html findMz.formula html findProgress html flatten html formulastring.to.list html gatherData html gatherDataBabel html gatherDataUnknown html gatherPubChem html getAnalyticalInfo html Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/getAnalyticalInfo.Rd:71: missing link 'compileRecord' getCSID html getCactus html getCompTox html getCtsKey html getCtsRecord html getData html getMolecule html getPcId html is.valid.formula html loadInfolists html loadList html makeMollist html makePeaksCache html makeRecalibration html mbWorkflow html mbWorkspace-class html mergePeaks.df html msmsRead.RAW html msmsRead html msmsWorkflow html msmsWorkspace-class html newMbWorkspace html newMsmsWorkspace html order.formula html parseMassBank html parseMbRecord html REDIRECT:topic Previous alias or file overwritten by alias: C:/Users/biocbuild/bbs-3.13-bioc/R/library/00LOCK-RMassBank/00new/RMassBank/help/parseMassBank.html peaksMatched html peaksUnmatched html plotMbWorkspaces html plotRecalibration html ppm html problematicPeaks html processProblematicPeaks html progressBarHook html reanalyzeFailpeaks html recalibrate html recalibrate.addMS1data html selectPeaks html selectSpectra html setData html smiles2mass html spectraCount html to.limits.rcdk html toMassbank html Rd warning: C:/Users/biocbuild/bbs-3.13-bioc/meat/RMassBank/man/toMassbank.Rd:79: missing link 'compileRecord' toRMB html updateSettings html validate html ** building package indices ** installing vignettes ** testing if installed package can be loaded from temporary location ** testing if installed package can be loaded from final location ** testing if installed package keeps a record of temporary installation path * DONE (RMassBank) Making 'packages.html' ... done
RMassBank.Rcheck/tests/doRUnit.Rout
R version 4.1.1 (2021-08-10) -- "Kick Things" Copyright (C) 2021 The R Foundation for Statistical Computing Platform: x86_64-w64-mingw32/x64 (64-bit) R is free software and comes with ABSOLUTELY NO WARRANTY. You are welcome to redistribute it under certain conditions. Type 'license()' or 'licence()' for distribution details. R is a collaborative project with many contributors. Type 'contributors()' for more information and 'citation()' on how to cite R or R packages in publications. Type 'demo()' for some demos, 'help()' for on-line help, or 'help.start()' for an HTML browser interface to help. Type 'q()' to quit R. > #### doRUnit.R --- Run RUnit tests > ####------------------------------------------------------------------------ > > ### Structure borrowed from rcppgls: > ### https://github.com/eddelbuettel/rcppgsl/blob/master/tests/doRUnit.R > > if(require("RUnit", quietly = TRUE)) { + if(require("RMassBankData", quietly = TRUE) && !(compareVersion(installed.packages()["RMassBankData","Version"],"1.99.0") == -1)) { + pkg <- "RMassBank" + print("Starting tests") + require(pkg, character.only=TRUE) + + path <- system.file("unitTests", package = pkg) + + stopifnot(file.exists(path), file.info(path.expand(path))$isdir) + + source(file.path(path, "runTests.R"), echo = TRUE) + } else { + ## Taking this message out until the new RMassBankData is on bioc, just to avoid confusion. + # message("Package RMassBankData with version > 1.99 not available, cannot run unit tests") + } + } else { + message("Package RUnit not available, cannot run unit tests") + } NULL > > proc.time() user system elapsed 2.20 0.76 2.96
RMassBank.Rcheck/RMassBank-Ex.timings
name | user | system | elapsed | |
CTS.externalIdSubset | 0 | 0 | 0 | |
CTS.externalIdTypes | 0 | 0 | 0 | |
RmbDefaultSettings | 0.02 | 0.00 | 0.03 | |
add.formula | 0 | 0 | 0 | |
addMB | 0 | 0 | 0 | |
addPeaks | 0 | 0 | 0 | |
addPeaksManually | 0 | 0 | 0 | |
aggregateSpectra | 0 | 0 | 0 | |
analyzeMsMs | 0 | 0 | 0 | |
annotator.default | 0 | 0 | 0 | |
archiveResults | 0.01 | 0.00 | 0.01 | |
cleanElnoise | 0 | 0 | 0 | |
combineMultiplicities | 0 | 0 | 0 | |
createMolfile | 0 | 0 | 0 | |
dbe | 0.02 | 0.00 | 0.02 | |
deprofile | 0 | 0 | 0 | |
dot-buildRecord.RmbSpectraSet | 0 | 0 | 0 | |
dot-parseTitleString | 0 | 0 | 0 | |
exportMassbank | 0 | 0 | 0 | |
filterLowaccResults | 0 | 0 | 0 | |
filterMultiplicity | 0 | 0 | 0 | |
filterPeakSatellites | 0 | 0 | 0 | |
filterPeaksMultiplicity | 0 | 0 | 0 | |
findMass | 0.91 | 0.18 | 0.48 | |
findMsMsHR | 0 | 0 | 0 | |
findMsMsHRperxcms | 0 | 0 | 0 | |
findMz | 0 | 0 | 0 | |
findMz.formula | 0.25 | 0.00 | 0.17 | |
findProgress | 0 | 0 | 0 | |
flatten | 0 | 0 | 0 | |
formulastring.to.list | 0 | 0 | 0 | |
gatherData | 0 | 0 | 0 | |
gatherDataBabel | 0 | 0 | 0 | |
gatherDataUnknown | 0 | 0 | 0 | |
gatherPubChem | 0 | 0 | 0 | |
getAnalyticalInfo | 0 | 0 | 0 | |
getCSID | 0 | 0 | 0 | |
getCactus | 0.09 | 0.02 | 1.66 | |
getCompTox | 0 | 0 | 0 | |
getCtsKey | 0.20 | 0.00 | 0.42 | |
getCtsRecord | 0.00 | 0.00 | 0.22 | |
getMolecule | 0.08 | 0.01 | 0.06 | |
getPcId | 0.03 | 0.02 | 0.68 | |
is.valid.formula | 0 | 0 | 0 | |
loadInfolists | 0 | 0 | 0 | |
loadList | 0 | 0 | 0 | |
makeMollist | 0 | 0 | 0 | |
makeRecalibration | 0 | 0 | 0 | |
mbWorkflow | 0 | 0 | 0 | |
order.formula | 0 | 0 | 0 | |
parseMassBank | 0 | 0 | 0 | |
parseMbRecord | 0 | 0 | 0 | |
plotMbWorkspaces | 0 | 0 | 0 | |
ppm | 0 | 0 | 0 | |
problematicPeaks | 0 | 0 | 0 | |
reanalyzeFailpeaks | 0 | 0 | 0 | |
recalibrate | 0 | 0 | 0 | |
recalibrate.addMS1data | 0 | 0 | 0 | |
smiles2mass | 0 | 0 | 0 | |
to.limits.rcdk | 0 | 0 | 0 | |
toMassbank | 0 | 0 | 0 | |
toRMB | 0 | 0 | 0 | |
updateSettings | 0 | 0 | 0 | |
validate | 0 | 0 | 0 | |