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This page was generated on 2025-06-17 22:14 -0400 (Tue, 17 Jun 2025).
Hostname | OS | Arch (*) | R version | Installed pkgs |
---|---|---|---|---|
teran2 | Linux (Ubuntu 24.04.1 LTS) | x86_64 | 4.5.0 (2025-04-11) -- "How About a Twenty-Six" | 886 |
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Package 219/221 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | |||||||
xcms 4.7.1 (landing page) Steffen Neumann
| teran2 | Linux (Ubuntu 24.04.1 LTS) / x86_64 | OK | OK | ERROR | |||||||
To the developers/maintainers of the xcms package: - Use the following Renviron settings to reproduce errors and warnings. - If 'R CMD check' started to fail recently on the Linux builder(s) over a missing dependency, add the missing dependency to 'Suggests:' in your DESCRIPTION file. See Renviron.bioc for more information. |
Package: xcms |
Version: 4.7.1 |
Command: /home/rapidbuild/bbs-3.22-bioc-rapid/R/bin/R CMD check --install=check:xcms.install-out.txt --library=/home/rapidbuild/bbs-3.22-bioc-rapid/R/site-library --timings xcms_4.7.1.tar.gz |
StartedAt: 2025-06-17 22:03:35 -0400 (Tue, 17 Jun 2025) |
EndedAt: 2025-06-17 22:14:13 -0400 (Tue, 17 Jun 2025) |
EllapsedTime: 637.5 seconds |
RetCode: 137 |
Status: ERROR |
CheckDir: xcms.Rcheck |
Warnings: NA |
############################################################################## ############################################################################## ### ### Running command: ### ### /home/rapidbuild/bbs-3.22-bioc-rapid/R/bin/R CMD check --install=check:xcms.install-out.txt --library=/home/rapidbuild/bbs-3.22-bioc-rapid/R/site-library --timings xcms_4.7.1.tar.gz ### ############################################################################## ############################################################################## * using log directory ‘/media/volume/teran2_disk/rapidbuild/bbs-3.22-bioc-rapid/meat/xcms.Rcheck’ * using R version 4.5.0 (2025-04-11) * using platform: x86_64-pc-linux-gnu * R was compiled by gcc (Ubuntu 13.3.0-6ubuntu2~24.04) 13.3.0 GNU Fortran (Ubuntu 13.3.0-6ubuntu2~24.04) 13.3.0 * running under: Ubuntu 24.04.2 LTS * using session charset: UTF-8 * checking for file ‘xcms/DESCRIPTION’ ... OK * this is package ‘xcms’ version ‘4.7.1’ * 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: .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 * used C compiler: ‘gcc (Ubuntu 13.3.0-6ubuntu2~24.04) 13.3.0’ * used C++ compiler: ‘g++ (Ubuntu 13.3.0-6ubuntu2~24.04) 13.3.0’ * checking installed package size ... INFO installed size is 7.9Mb sub-directories of 1Mb or more: R 3.7Mb help 1.1Mb libs 2.4Mb * 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 code 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 whether startup messages can be suppressed ... OK * checking dependencies in R code ... NOTE Unexported objects imported by ':::' calls: ‘MALDIquant:::.localMaxima’ ‘MSnbase:::.MSnExpReqFvarLabels’ ‘MSnbase:::.plotXIC’ ‘MSnbase:::.vertical_sub_layout’ ‘MSnbase:::formatFileSpectrumNames’ ‘Spectra:::.concatenate_spectra’ 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’ ‘.define_merge_candidates’ ‘.merge_neighboring_peak_candidates’ ‘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’ 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’ xcmsSet: no visible global function definition for ‘bpstopOnError’ xcmsSet: no visible global function definition for ‘bptry’ xcmsSet: no visible global function definition for ‘bpok’ plotSurf,xcmsRaw: no visible global function definition for ‘clear3d’ plotSurf,xcmsRaw: no visible global function definition for ‘surface3d’ plotSurf,xcmsRaw: no visible global function definition for ‘points3d’ plotSurf,xcmsRaw: no visible global function definition for ‘bbox3d’ plotTree,xcmsFragments: no visible global function definition for ‘edgemode<-’ plotTree,xcmsFragments: no visible global function definition for ‘addEdge’ 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: addChildren addEdge base64encode bbox3d bpok bpstopOnError bptry checkCluster checkForRemoteErrors clear3d 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 points3d recvOneResult saveXML sendCall surface3d 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 $(LAPACK_LIBS) ... OK * checking use of PKG_*FLAGS in Makefiles ... OK * checking compiled code ... NOTE Note: information on .o files is not available * checking files in ‘vignettes’ ... OK * checking examples ... OK Examples with CPU (user + system) or elapsed time > 5s user system elapsed XcmsExperiment 9.397 0.548 10.139 findPeaks.massifquant-methods 6.955 0.005 7.208 LamaParama 4.734 1.037 6.477 * checking for unstated dependencies in ‘tests’ ... OK * checking tests ... Running ‘testthat.R’ ERROR Running the tests in ‘tests/testthat.R’ failed. Last 13 lines of output: > pdp <- PeakDensityParam(sampleGroups = rep(1, 3)) > xmseg <- groupChromPeaks(xmse, param = pdp, add = FALSE) > expect_true(length(processHistory(xmseg)) == 2L) > > ## Data for LamaParama checks > ref <- loadXcmsData("xmse") > f <- sampleData(ref)$sample_type > f[f == "QC"] <- NA > ref <- filterFeatures(ref, PercentMissingFilter(threshold = 0, f = f)) 5 features were removed > ref_mz_rt <- featureDefinitions(ref)[, c("mzmed","rtmed")] > tst <- loadXcmsData("faahko_sub2") > > test_check("xcms") Killed * checking for unstated dependencies in vignettes ... OK * checking package vignettes ... OK * checking re-building of vignette outputs ...Killed
xcms.Rcheck/00install.out
############################################################################## ############################################################################## ### ### Running command: ### ### /home/rapidbuild/bbs-3.22-bioc-rapid/R/bin/R CMD INSTALL xcms ### ############################################################################## ############################################################################## * installing to library ‘/media/volume/teran2_disk/rapidbuild/bbs-3.22-bioc-rapid/R/site-library’ * installing *source* package ‘xcms’ ... ** this is package ‘xcms’ version ‘4.7.1’ ** using staged installation ** libs using C compiler: ‘gcc (Ubuntu 13.3.0-6ubuntu2~24.04) 13.3.0’ using C++ compiler: ‘g++ (Ubuntu 13.3.0-6ubuntu2~24.04) 13.3.0’ 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++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c massifquant/xcms_massifquant.cpp -o massifquant/xcms_massifquant.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c massifquant/TrMgr.cpp -o massifquant/TrMgr.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c massifquant/Tracker.cpp -o massifquant/Tracker.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c massifquant/SegProc.cpp -o massifquant/SegProc.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c massifquant/DataKeeper.cpp -o massifquant/DataKeeper.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c massifquant/OpOverload.cpp -o massifquant/OpOverload.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c obiwarp/mat.cpp -o obiwarp/mat.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c obiwarp/vec.cpp -o obiwarp/vec.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -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++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c obiwarp/xcms_lmat.cpp -o obiwarp/xcms_lmat.o g++ -std=gnu++17 -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c xcms_obiwarp.cpp -o xcms_obiwarp.o gcc -std=gnu2x -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c fastMatch.c -o fastMatch.o gcc -std=gnu2x -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c mzClust_hclust.c -o mzClust_hclust.o gcc -std=gnu2x -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c mzROI.c -o mzROI.o gcc -std=gnu2x -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c util.c -o util.o gcc -std=gnu2x -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -c xcms.c -o xcms.o gcc -std=gnu2x -I"/home/rapidbuild/bbs-3.22-bioc-rapid/R/include" -DNDEBUG -I/usr/local/include -fpic -g -O2 -Wall -Werror=format-security -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++17 -shared -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 installing to /media/volume/teran2_disk/rapidbuild/bbs-3.22-bioc-rapid/R/site-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’ ** help *** installing help indices *** copying figures ** 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.fail
R version 4.5.0 (2025-04-11) -- "How About a Twenty-Six" Copyright (C) 2025 The R Foundation for Statistical Computing Platform: x86_64-pc-linux-gnu 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 This is xcms version 4.7.1 > library(faahKO) > library(MSnbase) Loading required package: BiocGenerics Loading required package: generics Attaching package: 'generics' The following objects are masked from 'package:base': as.difftime, as.factor, as.ordered, intersect, is.element, setdiff, setequal, union 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, aperm, append, as.data.frame, basename, cbind, colnames, dirname, do.call, duplicated, eval, evalq, get, grep, grepl, is.unsorted, lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin, pmin.int, rank, rbind, rownames, sapply, saveRDS, table, tapply, 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 object is masked from 'package:utils': findMatches 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 2.35.0 Visit https://lgatto.github.io/MSnbase/ to get started. Consider switching to the 'R for Mass Spectrometry' packages - see https://RforMassSpectrometry.org for details. Attaching package: 'MSnbase' The following object is masked from 'package:base': trimws > library(msdata) > library(BiocParallel) > prm <- SerialParam() > > register(SerialParam()) > > ## 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")) > > cwp <- CentWaveParam(noise = 10000, snthresh = 40, prefilter = c(3, 10000)) > 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 = cwp, BPPARAM = SerialParam()) 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) > xod_xgr <- adjustRtime(xod_xg, param = PeakGroupsParam(span = 0.4)) Performing retention time alignment using 19 anchor peaks. Applying retention time adjustment to the identified chromatographic peaks ... OK > xod_xgrg <- groupChromPeaks(xod_xgr, param = pdp) > 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 551 regions of interest ... OK: 29 found. Detecting mass traces at 25 ppm ... OK Detecting chromatographic peaks in 515 regions of interest ... OK: 20 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") > cwp2 <- CentWaveParam(snthresh = 5, noise = 100, ppm = 10, + peakwidth = c(3, 20), prefilter = c(3, 1000)) > pest_swth <- findChromPeaks(pest_swth, param = cwp2) Detecting mass traces at 10 ppm ... OK Detecting chromatographic peaks in 11 regions of interest ... OK: 11 found. > pest_swth <- findChromPeaksIsolationWindow(pest_swth, param = cwp2) 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 messages: 1: In .centWave_orig(mz = mz, int = int, scantime = scantime, valsPerSpect = valsPerSpect, : No ROIs found! 2: 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 = cwp2) 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) > > library(MsExperiment) > fls <- normalizePath(faahko_3_files) > df <- data.frame(mzML_file = basename(fls), + dataOrigin = fls, + sample = c("ko15", "ko16", "ko18")) > mse <- readMsExperiment(spectraFiles = fls, sampleData = df) > xmse <- findChromPeaks(mse, param = cwp) > expect_true(length(processHistory(xmse)) == 1L) > pdp <- PeakDensityParam(sampleGroups = rep(1, 3)) > xmseg <- groupChromPeaks(xmse, param = pdp, add = FALSE) > expect_true(length(processHistory(xmseg)) == 2L) > > ## Data for LamaParama checks > ref <- loadXcmsData("xmse") > f <- sampleData(ref)$sample_type > f[f == "QC"] <- NA > ref <- filterFeatures(ref, PercentMissingFilter(threshold = 0, f = f)) 5 features were removed > ref_mz_rt <- featureDefinitions(ref)[, c("mzmed","rtmed")] > tst <- loadXcmsData("faahko_sub2") > > test_check("xcms") Killed
xcms.Rcheck/xcms-Ex.timings
name | user | system | elapsed | |
AutoLockMass-methods | 0 | 0 | 0 | |
GenericParam | 0.001 | 0.000 | 0.001 | |
LamaParama | 4.734 | 1.037 | 6.477 | |
XCMSnExp-class | 1.195 | 0.403 | 1.704 | |
XCMSnExp-filter-methods | 0.351 | 0.009 | 0.363 | |
XChromatogram | 1.143 | 0.025 | 1.174 | |
XcmsExperiment | 9.397 | 0.548 | 10.139 | |
XcmsExperimentHdf5 | 1.798 | 0.040 | 1.839 | |
applyAdjustedRtime | 1.574 | 0.080 | 1.655 | |
binYonX | 0.000 | 0.001 | 0.001 | |
breaks_on_binSize | 0.001 | 0.000 | 0.001 | |
breaks_on_nBins | 0 | 0 | 0 | |
chromPeakChromatograms | 1.880 | 0.070 | 1.951 | |
chromPeakSpectra | 1.611 | 0.092 | 2.337 | |
chromatogram-method | 2.493 | 0.050 | 3.078 | |
correlate-Chromatogram | 0.075 | 0.003 | 0.113 | |
descendZero | 0.000 | 0.000 | 0.001 | |
do_findChromPeaks_centWave | 0.579 | 0.015 | 0.724 | |
do_findChromPeaks_massifquant | 0.924 | 0.018 | 1.043 | |
do_findChromPeaks_matchedFilter | 0.745 | 0.009 | 0.761 | |
do_groupChromPeaks_density | 0.232 | 0.003 | 0.238 | |
extractMsData-method | 0.327 | 0.011 | 0.373 | |
featureChromatograms | 1.167 | 0.022 | 1.194 | |
fillChromPeaks | 0.836 | 0.008 | 0.845 | |
filter-MChromatograms | 0.235 | 0.002 | 0.237 | |
filterFeatures | 0.169 | 0.006 | 0.175 | |
findChromPeaks-Chromatogram-CentWaveParam | 1.104 | 0.019 | 1.124 | |
findChromPeaks-Chromatogram-MatchedFilter | 0.294 | 0.005 | 0.299 | |
findChromPeaks-centWave | 1.200 | 0.020 | 1.229 | |
findChromPeaks-centWaveWithPredIsoROIs | 0.008 | 0.000 | 0.007 | |
findChromPeaks-massifquant | 4.017 | 0.010 | 4.599 | |
findChromPeaks-matchedFilter | 2.698 | 0.008 | 2.769 | |
findMZ | 0 | 0 | 0 | |
findPeaks-MSW | 1.779 | 0.009 | 1.913 | |
findPeaks.massifquant-methods | 6.955 | 0.005 | 7.208 | |
findneutral | 0 | 0 | 0 | |
group.mzClust | 0 | 0 | 0 | |
group.nearest | 0.000 | 0.001 | 0.001 | |
groupFeatures-abundance-correlation | 0.284 | 0.003 | 0.308 | |
groupFeatures-eic-similarity | 1.774 | 0.068 | 1.850 | |
groupFeatures-similar-rtime | 0.241 | 0.002 | 0.243 | |
groupOverlaps | 0 | 0 | 0 | |
highlightChromPeaks | 1.979 | 0.028 | 2.008 | |
imputeLinInterpol | 0.004 | 0.000 | 0.004 | |
imputeRowMin | 1.034 | 0.002 | 1.038 | |
imputeRowMinRand | 1.076 | 0.003 | 1.082 | |
loadXcmsData | 0.072 | 0.004 | 0.076 | |
manualChromPeaks | 0.233 | 0.012 | 0.332 | |
medianFilter | 0 | 0 | 0 | |
msn2xcmsRaw | 1.314 | 0.022 | 1.505 | |
overlappingFeatures | 0.310 | 0.004 | 0.317 | |
peakTable-methods | 0 | 0 | 0 | |
peaksWithCentWave | 0.210 | 0.008 | 0.232 | |
peaksWithMatchedFilter | 0.301 | 0.018 | 0.632 | |
phenoDataFromPaths | 0.000 | 0.000 | 0.001 | |
plotAdjustedRtime | 0.286 | 0.000 | 0.548 | |
plotChromPeakDensity | 0.089 | 0.004 | 0.095 | |
plotChromPeaks | 0.249 | 0.005 | 0.271 | |
plotChromatogramsOverlay | 2.152 | 0.022 | 2.400 | |
plotPrecursorIons | 2.783 | 0.251 | 3.041 | |
plotQC | 1.318 | 0.002 | 1.320 | |
profGenerate | 0 | 0 | 0 | |
profMat-xcmsSet | 1.446 | 0.055 | 1.499 | |
profStep-methods | 0 | 0 | 0 | |
rectUnique | 0.000 | 0.001 | 0.001 | |
refineChromPeaks | 0.999 | 0.016 | 1.014 | |
removeIntensity-Chromatogram | 0.066 | 0.005 | 0.071 | |
rla | 0.001 | 0.000 | 0.001 | |
stitch-methods | 0 | 0 | 0 | |
sub-xcmsRaw-logicalOrNumeric-missing-missing-method | 1.299 | 0.012 | 1.404 | |
writeMzTab | 0.999 | 0.001 | 1.005 | |
xcmsRaw | 0 | 0 | 0 | |