Back to Multiple platform build/check report for BioC 3.15 |
|
This page was generated on 2022-10-19 13:22:10 -0400 (Wed, 19 Oct 2022).
Hostname | OS | Arch (*) | R version | Installed pkgs |
---|---|---|---|---|
nebbiolo1 | Linux (Ubuntu 20.04.5 LTS) | x86_64 | 4.2.1 (2022-06-23) -- "Funny-Looking Kid" | 4386 |
palomino3 | Windows Server 2022 Datacenter | x64 | 4.2.1 (2022-06-23 ucrt) -- "Funny-Looking Kid" | 4138 |
merida1 | macOS 10.14.6 Mojave | x86_64 | 4.2.1 (2022-06-23) -- "Funny-Looking Kid" | 4205 |
Click on any hostname to see more info about the system (e.g. compilers) (*) as reported by 'uname -p', except on Windows and Mac OS X |
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? for more information. - Make sure to use the following settings in order to reproduce any error or warning you see on this page. |
Package 1666/2140 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | BUILD BIN | ||||||||
RMassBank 3.6.1 (landing page) RMassBank at Eawag
| nebbiolo1 | Linux (Ubuntu 20.04.5 LTS) / x86_64 | OK | OK | WARNINGS | |||||||||
palomino3 | Windows Server 2022 Datacenter / x64 | OK | OK | WARNINGS | OK | |||||||||
merida1 | macOS 10.14.6 Mojave / x86_64 | OK | OK | WARNINGS | OK | |||||||||
Package: RMassBank |
Version: 3.6.1 |
Command: F:\biocbuild\bbs-3.15-bioc\R\bin\R.exe CMD check --no-multiarch --install=check:RMassBank.install-out.txt --library=F:\biocbuild\bbs-3.15-bioc\R\library --no-vignettes --timings RMassBank_3.6.1.tar.gz |
StartedAt: 2022-10-19 03:34:24 -0400 (Wed, 19 Oct 2022) |
EndedAt: 2022-10-19 03:37:29 -0400 (Wed, 19 Oct 2022) |
EllapsedTime: 185.0 seconds |
RetCode: 0 |
Status: WARNINGS |
CheckDir: RMassBank.Rcheck |
Warnings: 4 |
############################################################################## ############################################################################## ### ### Running command: ### ### F:\biocbuild\bbs-3.15-bioc\R\bin\R.exe CMD check --no-multiarch --install=check:RMassBank.install-out.txt --library=F:\biocbuild\bbs-3.15-bioc\R\library --no-vignettes --timings RMassBank_3.6.1.tar.gz ### ############################################################################## ############################################################################## * using log directory 'F:/biocbuild/bbs-3.15-bioc/meat/RMassBank.Rcheck' * using R version 4.2.1 (2022-06-23 ucrt) * using platform: x86_64-w64-mingw32 (64-bit) * using session charset: UTF-8 * using option '--no-vignettes' * checking for file 'RMassBank/DESCRIPTION' ... OK * checking extension type ... Package * this is package 'RMassBank' version '3.6.1' * 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: .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: Warning: replacing previous import 'MSnbase::header' by 'R.utils::header' when loading 'RMassBank' Warning: replacing previous import 'R.utils::reset' by 'RCurl::reset' when loading 'RMassBank' Warning: replacing previous import 'R.utils::header' by 'mzR::header' when loading 'RMassBank' See 'F:/biocbuild/bbs-3.15-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 Namespace in Imports field not imported from: 'ChemmineOB' All declared Imports should be used. Unexported object imported by a ':::' call: 'MSnbase:::writeMgfContent' See the note in ?`:::` about the use of this operator. * checking S3 generic/method consistency ... OK * checking replacement functions ... OK * 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' compoundlist2SDF: no visible binding for global variable 'ID' 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' 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: ID 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 ... OK * checking Rd metadata ... OK * checking Rd cross-references ... OK * checking for missing documentation entries ... WARNING Undocumented S4 classes: '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 'cleanElnoise' and siglist 'RmbSpectraSet,numeric,numeric' generic 'cleanElnoise' and siglist 'RmbSpectrum2,numeric,numeric' generic 'cleanElnoise' and siglist 'data.frame,numeric,numeric' generic 'normalize' and siglist 'RmbSpectrum2' generic 'normalize' and siglist 'RmbSpectrum2List' 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 'getAnalyticalInfo' but not in code: 'gatherCompound' 'gatherSpectrum' Functions or methods with usage in documentation object 'getCompTox' but not in code: 'getCompTox' 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")$unknownMass) Docs: function(cpdID, mode = "pH", ppm = 10, deltaMz = 0, retrieval = "standard") Argument names in code not in docs: unknownMass Codoc mismatches from documentation object 'makeRecalibration': makeRecalibration Code: function(w, recalibrateBy = getOption("RMassBank")$recalibrateBy, recalibrateMS1 = getOption("RMassBank")$recalibrateMS1, recalibrator = getOption("RMassBank")$recalibrator, recalibrateMS1Window = getOption("RMassBank")$recalibrateMS1Window) Docs: function(w, mode, recalibrateBy = getOption("RMassBank")$recalibrateBy, recalibrateMS1 = getOption("RMassBank")$recalibrateMS1, recalibrator = getOption("RMassBank")$recalibrator, recalibrateMS1Window = getOption("RMassBank")$recalibrateMS1Window) Argument names in docs not in code: mode Mismatches in argument names (first 3): Position: 2 Code: recalibrateBy Docs: mode Position: 3 Code: recalibrateMS1 Docs: recalibrateBy Position: 4 Code: recalibrator Docs: recalibrateMS1 recalibrateSpectra Code: function(rawspec = NULL, rc = NULL, rc.ms1 = NULL, w = NULL, recalibrateBy = getOption("RMassBank")$recalibrateBy, recalibrateMS1 = getOption("RMassBank")$recalibrateMS1) Docs: function(mode, rawspec = NULL, rc = NULL, rc.ms1 = NULL, w = NULL, recalibrateBy = getOption("RMassBank")$recalibrateBy, recalibrateMS1 = getOption("RMassBank")$recalibrateMS1) Argument names in docs not in code: mode Mismatches in argument names (first 3): Position: 1 Code: rawspec Docs: mode Position: 2 Code: rc Docs: rawspec Position: 3 Code: rc.ms1 Docs: rc Codoc mismatches from documentation object 'problematicPeaks': problematicPeaks Code: function(sp) Docs: function(peaks_unmatched, peaks_matched, mode = "pH") Argument names in code not in docs: sp Argument names in docs not in code: peaks_unmatched peaks_matched mode Mismatches in argument names: Position: 1 Code: sp Docs: peaks_unmatched Codoc mismatches from documentation object 'reanalyzeFailpeaks': reanalyzeFailpeaks Code: function(w, custom_additions, filterSettings = getOption("RMassBank")$filterSettings, progressbar = "progressBarHook") Docs: function(aggregated, custom_additions, mode, filterSettings = getOption("RMassBank")$filterSettings, progressbar = "progressBarHook") Argument names in code not in docs: w Argument names in docs not in code: aggregated mode Mismatches in argument names: Position: 1 Code: w Docs: aggregated Position: 3 Code: filterSettings Docs: mode Position: 4 Code: progressbar Docs: filterSettings reanalyzeFailpeak Code: function(mass, custom_additions, cpdID, mode, filterSettings = getOption("RMassBank")$filterSettings) Docs: function(custom_additions, mass, cpdID, counter, pb = NULL, mode, filterSettings = getOption("RMassBank")$filterSettings) Argument names in docs not in code: counter pb Mismatches in argument names (first 3): Position: 1 Code: mass Docs: custom_additions Position: 2 Code: custom_additions Docs: mass Position: 4 Code: mode Docs: counter Codoc mismatches from documentation object 'recalibrate.addMS1data': recalibrate.addMS1data Code: function(spec, recalibrateMS1Window = getOption("RMassBank")$recalibrateMS1Window) Docs: function(spec, mode = "pH", recalibrateMS1Window = getOption("RMassBank")$recalibrateMS1Window) Argument names in docs not in code: mode Mismatches in argument names: Position: 2 Code: recalibrateMS1Window Docs: mode 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 S4 class codoc mismatches from documentation object 'RmbSpectrum2-class': Slots for class 'RmbSpectrum2' Code: .__classVersion__ acquisitionNum centroided collisionEnergy dbe dppm dppmBest formula formulaCount formulaSource fromFile good info intensity low merged msLevel mz mzCalc ok peaksCount polarity precScanNum precursorCharge precursorIntensity precursorMz properties rawOK rt satellite scanIndex smoothed tic Inherited: merged precScanNum precursorMz precursorIntensity precursorCharge collisionEnergy msLevel peaksCount rt acquisitionNum scanIndex tic mz intensity fromFile centroided smoothed polarity .__classVersion__ Docs: dbe dppm dppmBest formula formulaCount formulaSource good info low mzCalc ok properties rawOk satellite * checking Rd \usage sections ... WARNING Undocumented arguments in documentation object 'buildRecord' 'analyticalInfo' Undocumented arguments in documentation object 'exportMassbank' 'files' Undocumented arguments in documentation object 'findEIC' 'polarity' 'msLevel' 'precursor' Undocumented arguments in documentation object 'findMsMsHR' 'enforcePolarity' 'polarity' Undocumented arguments in documentation object 'makeRecalibration' 'mode' Undocumented arguments in documentation object 'msmsWorkflow' 'filetable' Documented arguments not in \usage in documentation object 'processProblematicPeaks': 'mode' Undocumented arguments in documentation object 'reanalyzeFailpeaks' 'mode' Undocumented arguments in documentation object 'recalibrate.addMS1data' 'mode' Undocumented arguments in documentation object 'rmb_log_debug' '...' Undocumented arguments in documentation object 'rmb_log_error' '...' Undocumented arguments in documentation object 'rmb_log_fatal' '...' Undocumented arguments in documentation object 'rmb_log_info' '...' Undocumented arguments in documentation object 'rmb_log_success' '...' Undocumented arguments in documentation object 'rmb_log_trace' '...' Undocumented arguments in documentation object 'rmb_log_warn' '...' 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 ... OK * 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: 4 WARNINGs, 3 NOTEs See 'F:/biocbuild/bbs-3.15-bioc/meat/RMassBank.Rcheck/00check.log' for details.
RMassBank.Rcheck/00install.out
############################################################################## ############################################################################## ### ### Running command: ### ### F:\biocbuild\bbs-3.15-bioc\R\bin\R.exe CMD INSTALL RMassBank ### ############################################################################## ############################################################################## * installing to library 'F:/biocbuild/bbs-3.15-bioc/R/library' * installing *source* package 'RMassBank' ... ** using staged installation ** R ** inst ** byte-compile and prepare package for lazy loading Warning: replacing previous import 'MSnbase::header' by 'R.utils::header' when loading 'RMassBank' Warning: replacing previous import 'R.utils::reset' by 'RCurl::reset' when loading 'RMassBank' Warning: replacing previous import 'R.utils::header' by 'mzR::header' when loading 'RMassBank' ** help *** installing help indices ** building package indices ** installing vignettes ** testing if installed package can be loaded from temporary location Warning: replacing previous import 'MSnbase::header' by 'R.utils::header' when loading 'RMassBank' Warning: replacing previous import 'R.utils::reset' by 'RCurl::reset' when loading 'RMassBank' Warning: replacing previous import 'R.utils::header' by 'mzR::header' when loading 'RMassBank' ** testing if installed package can be loaded from final location Warning: replacing previous import 'MSnbase::header' by 'R.utils::header' when loading 'RMassBank' Warning: replacing previous import 'R.utils::reset' by 'RCurl::reset' when loading 'RMassBank' Warning: replacing previous import 'R.utils::header' by 'mzR::header' when loading 'RMassBank' ** testing if installed package keeps a record of temporary installation path * DONE (RMassBank)
RMassBank.Rcheck/tests/doRUnit.Rout
R version 4.2.1 (2022-06-23 ucrt) -- "Funny-Looking Kid" Copyright (C) 2022 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 1.50 1.42 2.92
RMassBank.Rcheck/RMassBank-Ex.timings
name | user | system | elapsed | |
CAS2SMILES | 0.03 | 0.02 | 0.35 | |
CTS.externalIdSubset | 0 | 0 | 0 | |
CTS.externalIdTypes | 0 | 0 | 0 | |
RmbDefaultSettings | 0.02 | 0.00 | 0.09 | |
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 | 0.00 | 0.02 | 0.01 | |
cleanElnoise | 0 | 0 | 0 | |
combineMultiplicities | 0 | 0 | 0 | |
compoundlist2SDF | 0 | 0 | 0 | |
createCompoundlist | 0 | 0 | 0 | |
createMolfile | 0 | 0 | 0 | |
dbe | 0 | 0 | 0 | |
deprofile | 0 | 0 | 0 | |
dot-parseTitleString | 0 | 0 | 0 | |
filterCompoundlist | 0 | 0 | 0 | |
filterLowaccResults | 0 | 0 | 0 | |
filterMultiplicity | 0 | 0 | 0 | |
filterPeakSatellites | 0 | 0 | 0 | |
filterPeaksMultiplicity | 0 | 0 | 0 | |
findMass | 0.77 | 0.15 | 0.34 | |
findMsMsHR | 0 | 0 | 0 | |
findMsMsHRperxcms | 0 | 0 | 0 | |
findMz | 0 | 0 | 0 | |
findMz.formula | 0.23 | 0.00 | 0.20 | |
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 | 0.04 | 0.00 | 0.57 | |
getCompTox | 0 | 0 | 0 | |
getCtsKey | 0.19 | 0.00 | 0.36 | |
getCtsRecord | 0.00 | 0.00 | 0.19 | |
getField | 0 | 0 | 0 | |
getMolecule | 0.03 | 0.05 | 0.03 | |
getPcId | 0.05 | 0.00 | 0.28 | |
is.valid.formula | 0 | 0 | 0 | |
loadInfolists | 0 | 0 | 0 | |
loadList | 0 | 0 | 0 | |
makeRecalibration | 0 | 0 | 0 | |
mbWorkflow | 0 | 0 | 0 | |
mergePeaks | 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 | |
updateHeader | 0 | 0 | 0 | |
updateSettings | 0 | 0 | 0 | |
validate | 0 | 0 | 0 | |