Back to Multiple platform build/check report for BioC 3.15 |
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This page was generated on 2022-10-19 13:21:03 -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 xcms package: - Please allow up to 24 hours (and sometimes 48 hours) for your latest push to git@git.bioconductor.org:packages/xcms.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 2126/2140 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | BUILD BIN | ||||||||
xcms 3.18.0 (landing page) Steffen Neumann
| nebbiolo1 | Linux (Ubuntu 20.04.5 LTS) / x86_64 | OK | OK | OK | |||||||||
palomino3 | Windows Server 2022 Datacenter / x64 | OK | OK | OK | OK | |||||||||
merida1 | macOS 10.14.6 Mojave / x86_64 | OK | OK | OK | OK | |||||||||
Package: xcms |
Version: 3.18.0 |
Command: /home/biocbuild/bbs-3.15-bioc/R/bin/R CMD check --install=check:xcms.install-out.txt --library=/home/biocbuild/bbs-3.15-bioc/R/library --no-vignettes --timings xcms_3.18.0.tar.gz |
StartedAt: 2022-10-18 22:22:39 -0400 (Tue, 18 Oct 2022) |
EndedAt: 2022-10-18 22:34:20 -0400 (Tue, 18 Oct 2022) |
EllapsedTime: 701.1 seconds |
RetCode: 0 |
Status: OK |
CheckDir: xcms.Rcheck |
Warnings: 0 |
############################################################################## ############################################################################## ### ### Running command: ### ### /home/biocbuild/bbs-3.15-bioc/R/bin/R CMD check --install=check:xcms.install-out.txt --library=/home/biocbuild/bbs-3.15-bioc/R/library --no-vignettes --timings xcms_3.18.0.tar.gz ### ############################################################################## ############################################################################## * using log directory ‘/home/biocbuild/bbs-3.15-bioc/meat/xcms.Rcheck’ * using R version 4.2.1 (2022-06-23) * using platform: x86_64-pc-linux-gnu (64-bit) * using session charset: UTF-8 * using option ‘--no-vignettes’ * checking for file ‘xcms/DESCRIPTION’ ... OK * this is package ‘xcms’ version ‘3.18.0’ * 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 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 ‘xcms’ can be installed ... OK * checking installed package size ... NOTE installed size is 5.1Mb sub-directories of 1Mb or more: R 2.4Mb libs 1.5Mb * checking package directory ... OK * checking ‘build’ directory ... OK * checking DESCRIPTION meta-information ... NOTE License components with restrictions not permitted: GPL (>= 2) + file LICENSE * 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 objects imported by ':::' calls: ‘MALDIquant:::.localMaxima’ ‘MSnbase:::.MSnExpReqFvarLabels’ ‘MSnbase:::.plotXIC’ ‘MSnbase:::.vertical_sub_layout’ ‘MSnbase:::formatFileSpectrumNames’ 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: ‘.copy_env’ ‘.getChromPeakData’ ‘.get_closest_index’ ‘.spectra_for_peaks’ ‘.split_by_file2’ ‘.validChromPeaksMatrix’ ‘MSW.cwt’ ‘MSW.getLocalMaximumCWT’ ‘MSW.getRidge’ ‘descendMin’ ‘descendMinTol’ ‘estimateChromNoise’ ‘getLocalNoiseEstimate’ ‘na.flatfill’ ‘patternVsRowScore’ * checking S3 generic/method consistency ... OK * checking replacement functions ... OK * checking foreign function calls ... OK * checking R code for possible problems ... NOTE .xcmsFragments.plotTree: no visible global function definition for ‘edgemode<-’ .xcmsFragments.plotTree: no visible global function definition for ‘addEdge’ buildAnalysisSummary: no visible global function definition for ‘newXMLNode’ buildAssayList : <anonymous>: no visible global function definition for ‘newXMLNode’ buildAssayList: no visible global function definition for ‘newXMLNode’ buildAuditCollection: no visible global function definition for ‘newXMLNode’ buildCVlist: no visible global function definition for ‘newXMLNode’ buildCVlist: no visible global function definition for ‘addChildren’ buildCvParams : <anonymous>: no visible global function definition for ‘newXMLNode’ buildDataProcessingList: no visible global function definition for ‘newXMLNode’ buildFeatureList : <anonymous>: no visible global function definition for ‘newXMLNode’ buildInputFiles : <anonymous>: no visible global function definition for ‘newXMLNode’ buildInputFiles: no visible global function definition for ‘newXMLNode’ buildMzq: no visible global function definition for ‘xmlTree’ buildSmallMoleculeList : <anonymous>: no visible global function definition for ‘newXMLNode’ buildSmallMoleculeList: no visible global function definition for ‘newXMLNode’ buildSoftwareList: no visible global function definition for ‘newXMLNode’ buildStudyVariableList : <anonymous>: no visible global function definition for ‘newXMLNode’ buildStudyVariableList : <anonymous> : <anonymous>: no visible global function definition for ‘newXMLNode’ buildStudyVariableList: no visible global function definition for ‘newXMLNode’ chromPeakSpectra: no visible global function definition for ‘List’ featureSpectra: no visible global function definition for ‘List’ plotQC: no visible global function definition for ‘sampleNames’ running: multiple local function definitions for ‘funct’ with different formal arguments verify.mzQuantML: no visible global function definition for ‘xmlTreeParse’ verify.mzQuantML: no visible global function definition for ‘xmlInternalTreeParse’ verify.mzQuantML: no visible global function definition for ‘xmlSchemaValidate’ xcmsClusterApply: no visible global function definition for ‘checkCluster’ xcmsClusterApply : submit: no visible global function definition for ‘sendCall’ xcmsClusterApply: no visible global function definition for ‘recvOneResult’ xcmsClusterApply: no visible global function definition for ‘checkForRemoteErrors’ xcmsPapply: no visible global function definition for ‘mpi.comm.size’ xcmsPapply: no visible global function definition for ‘mpi.spawn.Rslaves’ xcmsPapply: no visible global function definition for ‘mpi.comm.rank’ xcmsPapply : papply_int_slavefunction: no visible global function definition for ‘mpi.send.Robj’ xcmsPapply : papply_int_slavefunction: no visible global function definition for ‘mpi.recv.Robj’ xcmsPapply : papply_int_slavefunction: no visible global function definition for ‘mpi.any.source’ xcmsPapply : papply_int_slavefunction: no visible global function definition for ‘mpi.any.tag’ xcmsPapply : papply_int_slavefunction: no visible global function definition for ‘mpi.get.sourcetag’ xcmsPapply: no visible global function definition for ‘mpi.bcast.Robj2slave’ xcmsPapply: no visible global function definition for ‘mpi.bcast.cmd’ xcmsPapply: no visible global function definition for ‘mpi.recv.Robj’ xcmsPapply: no visible global function definition for ‘mpi.any.source’ xcmsPapply: no visible global function definition for ‘mpi.any.tag’ xcmsPapply: no visible global function definition for ‘mpi.get.sourcetag’ xcmsPapply: no visible global function definition for ‘mpi.send.Robj’ xcmsParallelSetup: no visible global function definition for ‘mpi.spawn.Rslaves’ xcmsParallelSetup: no visible global function definition for ‘mpi.comm.size’ xcmsParallelSetup: no visible global function definition for ‘mpi.comm.rank’ xcmsParallelSetup: no visible global function definition for ‘makeCluster’ [,XChromatograms-ANY-ANY-ANY: no visible global function definition for ‘pData<-’ plotSurf,xcmsRaw: no visible global function definition for ‘rgl.clear’ plotSurf,xcmsRaw: no visible global function definition for ‘rgl.surface’ plotSurf,xcmsRaw: no visible global function definition for ‘rgl.points’ plotSurf,xcmsRaw: no visible global function definition for ‘rgl.bbox’ plotTree,xcmsFragments: no visible global function definition for ‘edgemode<-’ plotTree,xcmsFragments: no visible global function definition for ‘addEdge’ refineChromPeaks,XCMSnExp-FilterIntensityParam: no visible binding for global variable ‘value’ write.cdf,xcmsRaw: no visible global function definition for ‘ncdim_def’ write.cdf,xcmsRaw: no visible global function definition for ‘ncvar_def’ write.cdf,xcmsRaw: no visible global function definition for ‘nc_create’ write.cdf,xcmsRaw: no visible global function definition for ‘ncvar_put’ write.cdf,xcmsRaw: no visible global function definition for ‘ncatt_put’ write.cdf,xcmsRaw: no visible global function definition for ‘nc_close’ write.mzQuantML,xcmsSet: no visible global function definition for ‘saveXML’ write.mzdata,xcmsRaw: no visible global function definition for ‘base64encode’ Undefined global functions or variables: List addChildren addEdge base64encode checkCluster checkForRemoteErrors edgemode<- makeCluster mpi.any.source mpi.any.tag mpi.bcast.Robj2slave mpi.bcast.cmd mpi.comm.rank mpi.comm.size mpi.get.sourcetag mpi.recv.Robj mpi.send.Robj mpi.spawn.Rslaves nc_close nc_create ncatt_put ncdim_def ncvar_def ncvar_put newXMLNode pData<- recvOneResult rgl.bbox rgl.clear rgl.points rgl.surface sampleNames saveXML sendCall value xmlInternalTreeParse xmlSchemaValidate xmlTree xmlTreeParse * checking Rd files ... OK * checking Rd metadata ... OK * checking Rd cross-references ... OK * checking for missing documentation entries ... OK * checking for code/documentation mismatches ... OK * checking Rd \usage sections ... OK * checking Rd contents ... OK * checking for unstated dependencies in examples ... OK * checking contents of ‘data’ directory ... OK * checking data for non-ASCII characters ... OK * checking data for ASCII and uncompressed saves ... OK * checking line endings in C/C++/Fortran sources/headers ... OK * checking line endings in Makefiles ... OK * checking compilation flags in Makevars ... OK * checking for GNU extensions in Makefiles ... OK * checking for portable use of $(BLAS_LIBS) and $(LAPACK_LIBS) ... OK * checking use of PKG_*FLAGS in Makefiles ... OK * checking compiled code ... NOTE Note: information on .o files is not available * checking files in ‘vignettes’ ... OK * checking examples ... OK Examples with CPU (user + system) or elapsed time > 5s user system elapsed groupFeatures-eic-similarity 6.211 0.064 6.275 * checking for unstated dependencies in ‘tests’ ... OK * checking tests ... Running ‘testthat.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: 6 NOTEs See ‘/home/biocbuild/bbs-3.15-bioc/meat/xcms.Rcheck/00check.log’ for details.
xcms.Rcheck/00install.out
############################################################################## ############################################################################## ### ### Running command: ### ### /home/biocbuild/bbs-3.15-bioc/R/bin/R CMD INSTALL xcms ### ############################################################################## ############################################################################## * installing to library ‘/home/biocbuild/bbs-3.15-bioc/R/library’ * installing *source* package ‘xcms’ ... ** using staged installation ** libs rm -f massifquant/xcms_massifquant.o massifquant/TrMgr.o massifquant/Tracker.o massifquant/SegProc.o massifquant/DataKeeper.o massifquant/OpOverload.o obiwarp/mat.o obiwarp/vec.o obiwarp/xcms_dynprog.o obiwarp/xcms_lmat.o xcms_obiwarp.o fastMatch.o mzClust_hclust.o mzROI.o util.o xcms.o binners.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c massifquant/xcms_massifquant.cpp -o massifquant/xcms_massifquant.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c massifquant/TrMgr.cpp -o massifquant/TrMgr.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c massifquant/Tracker.cpp -o massifquant/Tracker.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c massifquant/SegProc.cpp -o massifquant/SegProc.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c massifquant/DataKeeper.cpp -o massifquant/DataKeeper.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c massifquant/OpOverload.cpp -o massifquant/OpOverload.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c obiwarp/mat.cpp -o obiwarp/mat.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c obiwarp/vec.cpp -o obiwarp/vec.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c obiwarp/xcms_dynprog.cpp -o obiwarp/xcms_dynprog.o obiwarp/xcms_dynprog.cpp: In member function ‘void DynProg::find_path(VEC::MatF&, VEC::VecF&, int, float, float, int, float)’: obiwarp/xcms_dynprog.cpp:1113:9: warning: variable ‘bestscore’ set but not used [-Wunused-but-set-variable] 1113 | float bestscore; | ^~~~~~~~~ g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c obiwarp/xcms_lmat.cpp -o obiwarp/xcms_lmat.o g++ -std=gnu++14 -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c xcms_obiwarp.cpp -o xcms_obiwarp.o gcc -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c fastMatch.c -o fastMatch.o gcc -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c mzClust_hclust.c -o mzClust_hclust.o gcc -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c mzROI.c -o mzROI.o gcc -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c util.c -o util.o gcc -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c xcms.c -o xcms.o gcc -I"/home/biocbuild/bbs-3.15-bioc/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -c binners.c -o binners.o binners.c: In function ‘_breaks_on_binSize’: binners.c:357:7: warning: unused variable ‘idx’ [-Wunused-variable] 357 | int idx = 0; | ^~~ g++ -std=gnu++14 -shared -L/home/biocbuild/bbs-3.15-bioc/R/lib -L/usr/local/lib -o xcms.so massifquant/xcms_massifquant.o massifquant/TrMgr.o massifquant/Tracker.o massifquant/SegProc.o massifquant/DataKeeper.o massifquant/OpOverload.o obiwarp/mat.o obiwarp/vec.o obiwarp/xcms_dynprog.o obiwarp/xcms_lmat.o xcms_obiwarp.o fastMatch.o mzClust_hclust.o mzROI.o util.o xcms.o binners.o -L/home/biocbuild/bbs-3.15-bioc/R/lib -lR installing to /home/biocbuild/bbs-3.15-bioc/R/library/00LOCK-xcms/00new/xcms/libs ** R ** data ** inst ** byte-compile and prepare package for lazy loading Creating a new generic function for ‘group’ in package ‘xcms’ Creating a new generic function for ‘sigma’ in package ‘xcms’ Creating a generic function from function ‘hasFilledChromPeaks’ in package ‘xcms’ ** help *** installing help indices ** building package indices ** installing vignettes ** testing if installed package can be loaded from temporary location ** checking absolute paths in shared objects and dynamic libraries ** testing if installed package can be loaded from final location ** testing if installed package keeps a record of temporary installation path * DONE (xcms)
xcms.Rcheck/tests/testthat.Rout
R version 4.2.1 (2022-06-23) -- "Funny-Looking Kid" Copyright (C) 2022 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. > library(testthat) > library(xcms) Loading required package: BiocParallel Loading required package: MSnbase Loading required package: BiocGenerics Attaching package: 'BiocGenerics' The following objects are masked from 'package:stats': IQR, mad, sd, var, xtabs The following objects are masked from 'package:base': Filter, Find, Map, Position, Reduce, anyDuplicated, append, as.data.frame, basename, cbind, colnames, dirname, do.call, duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted, lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin, pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table, tapply, union, unique, unsplit, which.max, which.min Loading required package: Biobase Welcome to Bioconductor Vignettes contain introductory material; view with 'browseVignettes()'. To cite Bioconductor, see 'citation("Biobase")', and for packages 'citation("pkgname")'. Loading required package: mzR Loading required package: Rcpp Loading required package: S4Vectors Loading required package: stats4 Attaching package: 'S4Vectors' The following objects are masked from 'package:base': I, expand.grid, unname Loading required package: ProtGenerics Attaching package: 'ProtGenerics' The following object is masked from 'package:stats': smooth This is MSnbase version 2.22.0 Visit https://lgatto.github.io/MSnbase/ to get started. Attaching package: 'MSnbase' The following object is masked from 'package:base': trimws This is xcms version 3.18.0 Attaching package: 'xcms' The following object is masked from 'package:stats': sigma > library(faahKO) > library(msdata) > > if (.Platform$OS.type == "unix") { + prm <- MulticoreParam(3) + } else { + # prm <- SnowParam(3) + prm <- SerialParam() + } > register(bpstart(prm)) > > ## Create some objects we can re-use in different tests: > faahko_3_files <- c(system.file('cdf/KO/ko15.CDF', package = "faahKO"), + system.file('cdf/KO/ko16.CDF', package = "faahKO"), + system.file('cdf/KO/ko18.CDF', package = "faahKO")) > > faahko_od <- readMSData(faahko_3_files, mode = "onDisk") Polarity can not be extracted from netCDF files, please set manually the polarity with the 'polarity' method. > faahko_xod <- findChromPeaks( + faahko_od, param = CentWaveParam(noise = 10000, snthresh = 40, + prefilter = c(3, 10000))) Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 937 regions of interest ... OK: 87 found. Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 1025 regions of interest ... OK: 100 found. Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 919 regions of interest ... OK: 61 found. > od_x <- faahko_od > mzr <- matrix(c(335, 335, 344, 344), ncol = 2, byrow = TRUE) > od_chrs <- chromatogram(od_x, mz = mzr) > xod_x <- faahko_xod > pdp <- PeakDensityParam(sampleGroups = rep(1, 3)) > xod_xg <- groupChromPeaks(xod_x, param = pdp) Processing 2572 mz slices ... OK > xod_xgr <- adjustRtime(xod_xg, param = PeakGroupsParam(span = 0.4)) Performing retention time correction using 19 peak groups. Applying retention time adjustment to the identified chromatographic peaks ... OK > xod_xgrg <- groupChromPeaks(xod_xgr, param = pdp) Processing 2572 mz slices ... OK > xod_r <- adjustRtime(as(od_x, "XCMSnExp"), param = ObiwarpParam()) Sample number 2 used as center sample. Aligning ko15.CDF against ko16.CDF ... OK Aligning ko18.CDF against ko16.CDF ... OK > > xod_chr <- findChromPeaks(filterMz(filterRt(od_x, rt = c(2500, 3500)), + mz = c(334.9, 344.1)), + param = CentWaveParam()) Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 514 regions of interest ... OK: 23 found. Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 515 regions of interest ... OK: 20 found. Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 551 regions of interest ... OK: 29 found. Warning message: In .local(object, param, ...) : Your data appears to be not centroided! CentWave works best on data in centroid mode. > > microtofq_fs <- c(system.file("microtofq/MM14.mzML", package = "msdata"), + system.file("microtofq/MM8.mzML", package = "msdata")) > microtofq_od <- readMSData(microtofq_fs, mode = "onDisk") > > ## Direct injection data: > fticrf <- list.files(system.file("fticr-mzML", package = "msdata"), + recursive = TRUE, full.names = TRUE) > fticr <- readMSData(fticrf[1:2], msLevel. = 1, mode = "onDisk") > fticr_xod <- findChromPeaks(fticr, MSWParam(scales = c(1, 7), + peakThr = 80000, ampTh = 0.005, + SNR.method = "data.mean", + winSize.noise = 500)) > ## Pesticide data > fl <- system.file("TripleTOF-SWATH", "PestMix1_SWATH.mzML", package = "msdata") > pest_swth <- readMSData(fl, mode = "onDisk") > cwp <- CentWaveParam(snthresh = 5, noise = 100, ppm = 10, + peakwidth = c(3, 20), prefilter = c(3, 1000)) > pest_swth <- findChromPeaks(pest_swth, param = cwp) Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 11 regions of interest ... OK: 11 found. > pest_swth <- findChromPeaksIsolationWindow(pest_swth, param = cwp) Detecting mass traces at 10 ppm ... OK Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 2 regions of interest ... OK: 2 found. Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 7 regions of interest ... OK: 7 found. Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 3 regions of interest ... OK: 3 found. Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 17 regions of interest ... OK: 17 found. Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 3 regions of interest ... OK: 2 found. Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 10 regions of interest ... OK: 10 found. Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 3 regions of interest ... OK: 3 found. Warning message: In .processResultList(resList, getProcHist = return.type == "xcmsSet", : No peaks found in sample number 1. > > fl <- system.file("TripleTOF-SWATH", "PestMix1_DDA.mzML", package = "msdata") > pest_dda <- readMSData(fl, mode = "onDisk") > pest_dda <- findChromPeaks(pest_dda, param = cwp) Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 29 regions of interest ... OK: 28 found. > > ## Sciex test data. > ## fl <- dir(system.file("sciex", package = "msdata"), full.names = TRUE) > ## sciex_data <- readMSData(fl, mode = "onDisk") > ## sciex_data <- pickPeaks(sciex_data) > > test_check("xcms") Object of class: CleanPeaksParam Parameters: - maxPeakwidth: [1] 13.2 Object of class: MergeNeighboringPeaksParam Parameters: - expandRt: [1] 5 - expandMz: [1] 0.1 - ppm: [1] 20 - minProp: [1] 0.9 8.00 16.00 24.00 28.00 32.00 40.00 48.00 52.00 56.00 60.00 64.00 72.00 80.00 84.00 88.00 96.00 100.00 8.00 16.00 28.00 32.00 40.00 64.00 80.00 96.00 100.00 8.00 16.00 24.00 28.00 32.00 40.00 48.00 52.00 56.00 60.00 64.00 72.00 80.00 84.00 88.00 96.00 100.00 8.00 16.00 28.00 32.00 40.00 56.00 64.00 80.00 88.00 96.00 100.00 8.00 16.00 24.00 28.00 32.00 40.00 48.00 52.00 56.00 60.00 64.00 72.00 80.00 84.00 88.00 96.00 100.00 Object of class: XChromatogram length of object: 0 from file: mz range: [NA, NA] MS level: 1 Identified chromatographic peaks (0): rt rtmin rtmax into maxo sn [ FAIL 0 | WARN 673 | SKIP 11 | PASS 2876 ] ══ Skipped tests ═══════════════════════════════════════════════════════════════ • empty test (11) [ FAIL 0 | WARN 673 | SKIP 11 | PASS 2876 ] > > bpstop(prm) > > > proc.time() user system elapsed 169.063 11.824 365.246
xcms.Rcheck/xcms-Ex.timings
name | user | system | elapsed | |
AutoLockMass-methods | 0 | 0 | 0 | |
GenericParam | 0.001 | 0.000 | 0.001 | |
XCMSnExp-class | 2.095 | 0.148 | 2.255 | |
XCMSnExp-filter-methods | 0.318 | 0.004 | 0.322 | |
XChromatogram | 2.123 | 0.115 | 2.239 | |
adjustRtime-obiwarp | 2.230 | 0.039 | 2.270 | |
adjustRtime-peakGroups | 0.449 | 0.005 | 0.454 | |
applyAdjustedRtime | 1.628 | 0.032 | 1.660 | |
binYonX | 0.002 | 0.000 | 0.003 | |
breaks_on_binSize | 0.000 | 0.002 | 0.003 | |
breaks_on_nBins | 0.000 | 0.001 | 0.001 | |
chromPeakSpectra | 2.636 | 0.101 | 2.707 | |
chromatogram-method | 1.286 | 0.047 | 1.333 | |
correlate-Chromatogram | 0.003 | 0.008 | 0.012 | |
descendZero | 0.001 | 0.000 | 0.000 | |
do_findChromPeaks_centWave | 0.573 | 0.012 | 0.584 | |
do_findChromPeaks_massifquant | 0.826 | 0.004 | 0.830 | |
do_findChromPeaks_matchedFilter | 0.743 | 0.008 | 0.751 | |
do_groupChromPeaks_density | 0.212 | 0.008 | 0.221 | |
extractMsData-method | 0.285 | 0.012 | 0.297 | |
featureChromatograms | 1.544 | 0.015 | 1.559 | |
fillChromPeaks | 1.398 | 0.021 | 1.417 | |
filter-MChromatograms | 0.183 | 0.008 | 0.191 | |
findChromPeaks-Chromatogram-CentWaveParam | 3.693 | 0.059 | 3.753 | |
findChromPeaks-Chromatogram-MatchedFilter | 0.382 | 0.001 | 0.381 | |
findChromPeaks-centWave | 2.107 | 0.032 | 2.139 | |
findChromPeaks-centWaveWithPredIsoROIs | 0.008 | 0.000 | 0.008 | |
findChromPeaks-massifquant | 2.661 | 0.024 | 2.686 | |
findChromPeaks-matchedFilter | 1.641 | 0.008 | 1.649 | |
findMZ | 0.001 | 0.000 | 0.000 | |
findPeaks-MSW | 1.331 | 0.016 | 1.352 | |
findPeaks.massifquant-methods | 4.530 | 0.028 | 4.558 | |
findneutral | 0 | 0 | 0 | |
group.mzClust | 0.000 | 0.001 | 0.000 | |
group.nearest | 0.000 | 0.001 | 0.001 | |
groupChromPeaks-density | 0.238 | 0.008 | 0.246 | |
groupChromPeaks-mzClust | 2.567 | 0.020 | 2.591 | |
groupChromPeaks-nearest | 0.263 | 0.009 | 0.272 | |
groupFeatures-abundance-correlation | 0.422 | 0.003 | 0.424 | |
groupFeatures-eic-similarity | 6.211 | 0.064 | 6.275 | |
groupFeatures-similar-rtime | 0.360 | 0.008 | 0.369 | |
groupOverlaps | 0.001 | 0.000 | 0.000 | |
highlightChromPeaks | 0.736 | 0.016 | 0.751 | |
imputeLinInterpol | 0.003 | 0.002 | 0.005 | |
imputeRowMin | 0.992 | 0.018 | 1.010 | |
imputeRowMinRand | 1.548 | 0.064 | 1.611 | |
medianFilter | 0.001 | 0.000 | 0.001 | |
msn2xcmsRaw | 0.838 | 0.012 | 0.852 | |
overlappingFeatures | 0.25 | 0.00 | 0.25 | |
peakTable-methods | 0 | 0 | 0 | |
peaksWithCentWave | 0.775 | 0.000 | 0.776 | |
peaksWithMatchedFilter | 0.198 | 0.004 | 0.202 | |
phenoDataFromPaths | 0.001 | 0.000 | 0.001 | |
plotAdjustedRtime | 0.339 | 0.000 | 0.339 | |
plotChromPeakDensity | 0.024 | 0.000 | 0.024 | |
plotChromPeaks | 0.531 | 0.008 | 0.539 | |
plotChromatogramsOverlay | 2.407 | 0.036 | 2.444 | |
plotMsData | 1.699 | 0.028 | 1.727 | |
plotQC | 1.310 | 0.000 | 1.311 | |
profGenerate | 0 | 0 | 0 | |
profMat-xcmsSet | 1.441 | 0.075 | 1.516 | |
profStep-methods | 0.001 | 0.000 | 0.000 | |
rectUnique | 0.002 | 0.000 | 0.002 | |
refineChromPeaks-clean | 0.041 | 0.000 | 0.040 | |
refineChromPeaks-filter-intensity | 1.691 | 0.012 | 1.703 | |
refineChromPeaks-merge | 1.765 | 0.036 | 1.801 | |
removeIntensity-Chromatogram | 0.001 | 0.000 | 0.002 | |
rla | 0.000 | 0.001 | 0.001 | |
stitch-methods | 0.000 | 0.000 | 0.001 | |
sub-xcmsRaw-logicalOrNumeric-missing-missing-method | 0.710 | 0.002 | 0.711 | |
writeMzTab | 0.983 | 0.024 | 1.008 | |
xcmsRaw | 0.001 | 0.000 | 0.000 | |