| Back to Multiple platform build/check report for BioC 3.16: simplified long |
|
This page was generated on 2023-04-12 11:05:16 -0400 (Wed, 12 Apr 2023).
| Hostname | OS | Arch (*) | R version | Installed pkgs |
|---|---|---|---|---|
| nebbiolo2 | Linux (Ubuntu 20.04.5 LTS) | x86_64 | 4.2.3 (2023-03-15) -- "Shortstop Beagle" | 4502 |
| palomino4 | Windows Server 2022 Datacenter | x64 | 4.2.3 (2023-03-15 ucrt) -- "Shortstop Beagle" | 4282 |
| lconway | macOS 12.5.1 Monterey | x86_64 | 4.2.3 (2023-03-15) -- "Shortstop Beagle" | 4310 |
| 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 1694/2183 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | BUILD BIN | ||||||||
| RMassBank 3.8.0 (landing page) RMassBank at Eawag
| nebbiolo2 | Linux (Ubuntu 20.04.5 LTS) / x86_64 | OK | OK | WARNINGS | |||||||||
| palomino4 | Windows Server 2022 Datacenter / x64 | OK | OK | WARNINGS | OK | |||||||||
| lconway | macOS 12.5.1 Monterey / x86_64 | OK | OK | WARNINGS | OK | |||||||||
| Package: RMassBank |
| Version: 3.8.0 |
| Command: /home/biocbuild/bbs-3.16-bioc/R/bin/R CMD check --install=check:RMassBank.install-out.txt --library=/home/biocbuild/bbs-3.16-bioc/R/site-library --timings RMassBank_3.8.0.tar.gz |
| StartedAt: 2023-04-10 23:29:16 -0400 (Mon, 10 Apr 2023) |
| EndedAt: 2023-04-10 23:37:31 -0400 (Mon, 10 Apr 2023) |
| EllapsedTime: 494.8 seconds |
| RetCode: 0 |
| Status: WARNINGS |
| CheckDir: RMassBank.Rcheck |
| Warnings: 4 |
##############################################################################
##############################################################################
###
### Running command:
###
### /home/biocbuild/bbs-3.16-bioc/R/bin/R CMD check --install=check:RMassBank.install-out.txt --library=/home/biocbuild/bbs-3.16-bioc/R/site-library --timings RMassBank_3.8.0.tar.gz
###
##############################################################################
##############################################################################
* using log directory ‘/home/biocbuild/bbs-3.16-bioc/meat/RMassBank.Rcheck’
* using R version 4.2.3 (2023-03-15)
* using platform: x86_64-pc-linux-gnu (64-bit)
* using session charset: UTF-8
* checking for file ‘RMassBank/DESCRIPTION’ ... OK
* checking extension type ... Package
* this is package ‘RMassBank’ version ‘3.8.0’
* 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:
.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 for sufficient/correct file permissions ... 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 ‘/home/biocbuild/bbs-3.16-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 loading without being on the library search path ... 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 ...
‘RMassBank.Rmd’ using ‘UTF-8’... OK
‘RMassBankNonstandard.Rmd’ using ‘UTF-8’... OK
‘RMassBankXCMS.Rmd’ using ‘UTF-8’... OK
NONE
* checking re-building of vignette outputs ... OK
* checking PDF version of manual ... OK
* DONE
Status: 4 WARNINGs, 3 NOTEs
See
‘/home/biocbuild/bbs-3.16-bioc/meat/RMassBank.Rcheck/00check.log’
for details.
RMassBank.Rcheck/00install.out
############################################################################## ############################################################################## ### ### Running command: ### ### /home/biocbuild/bbs-3.16-bioc/R/bin/R CMD INSTALL RMassBank ### ############################################################################## ############################################################################## * installing to library ‘/home/biocbuild/bbs-3.16-bioc/R/site-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 4.2.3 (2023-03-15) -- "Shortstop Beagle"
Copyright (C) 2023 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (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
1.160 0.131 1.276
RMassBank.Rcheck/RMassBank-Ex.timings
| name | user | system | elapsed | |
| CAS2SMILES | 0.051 | 0.004 | 0.573 | |
| CTS.externalIdSubset | 0.000 | 0.000 | 0.001 | |
| CTS.externalIdTypes | 0.001 | 0.000 | 0.000 | |
| RmbDefaultSettings | 0.002 | 0.004 | 0.007 | |
| add.formula | 0.004 | 0.000 | 0.005 | |
| addMB | 0 | 0 | 0 | |
| addPeaks | 0 | 0 | 0 | |
| addPeaksManually | 0.000 | 0.000 | 0.001 | |
| aggregateSpectra | 0 | 0 | 0 | |
| analyzeMsMs | 0 | 0 | 0 | |
| annotator.default | 0 | 0 | 0 | |
| archiveResults | 0.011 | 0.001 | 0.012 | |
| cleanElnoise | 0 | 0 | 0 | |
| combineMultiplicities | 0 | 0 | 0 | |
| compoundlist2SDF | 0 | 0 | 0 | |
| createCompoundlist | 0 | 0 | 0 | |
| createMolfile | 0 | 0 | 0 | |
| dbe | 0.000 | 0.000 | 0.001 | |
| deprofile | 0.000 | 0.000 | 0.001 | |
| dot-parseTitleString | 0 | 0 | 0 | |
| filterCompoundlist | 0 | 0 | 0 | |
| filterLowaccResults | 0.000 | 0.000 | 0.001 | |
| filterMultiplicity | 0 | 0 | 0 | |
| filterPeakSatellites | 0 | 0 | 0 | |
| filterPeaksMultiplicity | 0 | 0 | 0 | |
| findMass | 0.952 | 0.025 | 0.256 | |
| findMsMsHR | 0 | 0 | 0 | |
| findMsMsHRperxcms | 0 | 0 | 0 | |
| findMz | 0 | 0 | 0 | |
| findMz.formula | 0.217 | 0.015 | 0.113 | |
| findProgress | 0 | 0 | 0 | |
| flatten | 0 | 0 | 0 | |
| formulastring.to.list | 0.000 | 0.000 | 0.001 | |
| gatherData | 0 | 0 | 0 | |
| gatherDataBabel | 0 | 0 | 0 | |
| gatherDataUnknown | 0 | 0 | 0 | |
| gatherPubChem | 0 | 0 | 0 | |
| getAnalyticalInfo | 0.000 | 0.001 | 0.000 | |
| getCSID | 0 | 0 | 0 | |
| getCactus | 0.034 | 0.005 | 0.533 | |
| getCompTox | 0 | 0 | 0 | |
| getCtsKey | 0.026 | 0.000 | 1.501 | |
| getCtsRecord | 0.028 | 0.000 | 0.436 | |
| getField | 0 | 0 | 0 | |
| getMolecule | 0.051 | 0.005 | 0.024 | |
| getPcId | 0.027 | 0.000 | 0.329 | |
| is.valid.formula | 0.000 | 0.000 | 0.001 | |
| loadInfolists | 0 | 0 | 0 | |
| loadList | 0 | 0 | 0 | |
| makeRecalibration | 0.000 | 0.000 | 0.001 | |
| mbWorkflow | 0 | 0 | 0 | |
| mergePeaks | 0.000 | 0.000 | 0.001 | |
| order.formula | 0.002 | 0.000 | 0.002 | |
| parseMassBank | 0 | 0 | 0 | |
| parseMbRecord | 0.000 | 0.000 | 0.001 | |
| 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 | 0.001 | 0.001 | 0.001 | |
| toMassbank | 0 | 0 | 0 | |
| toRMB | 0 | 0 | 0 | |
| updateHeader | 0 | 0 | 0 | |
| updateSettings | 0 | 0 | 0 | |
| validate | 0 | 0 | 0 | |