Back to Multiple platform build/check report for BioC 3.19:   simplified   long
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This page was generated on 2024-03-04 11:38:57 -0500 (Mon, 04 Mar 2024).

HostnameOSArch (*)R versionInstalled pkgs
nebbiolo1Linux (Ubuntu 22.04.3 LTS)x86_64R Under development (unstable) (2024-01-16 r85808) -- "Unsuffered Consequences" 4676
palomino3Windows Server 2022 Datacenterx64R Under development (unstable) (2024-01-14 r85805 ucrt) -- "Unsuffered Consequences" 4414
merida1macOS 12.7.1 Montereyx86_64R Under development (unstable) (2024-01-16 r85808) -- "Unsuffered Consequences" 4441
kunpeng2Linux (openEuler 22.03 LTS-SP1)aarch64R Under development (unstable) (2024-01-16 r85812) -- "Unsuffered Consequences" 4417
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Package 263/2251HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
CAMERA 1.59.0  (landing page)
Steffen Neumann
Snapshot Date: 2024-03-01 14:00:22 -0500 (Fri, 01 Mar 2024)
git_url: https://git.bioconductor.org/packages/CAMERA
git_branch: devel
git_last_commit: 2e52aef
git_last_commit_date: 2023-10-24 09:41:31 -0500 (Tue, 24 Oct 2023)
nebbiolo1Linux (Ubuntu 22.04.3 LTS) / x86_64  OK    OK    WARNINGS  UNNEEDED, same version is already published
palomino3Windows Server 2022 Datacenter / x64  OK    OK    WARNINGS    OK  UNNEEDED, same version is already published
merida1macOS 12.7.1 Monterey / x86_64  OK    OK    WARNINGS    OK  UNNEEDED, same version is already published
kunpeng2Linux (openEuler 22.03 LTS-SP1) / aarch64  OK    OK    WARNINGS  

CHECK results for CAMERA on merida1


To the developers/maintainers of the CAMERA package:
- Allow up to 24 hours (and sometimes 48 hours) for your latest push to git@git.bioconductor.org:packages/CAMERA.git to reflect on this report. See Troubleshooting Build Report for more information.
- 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.

raw results


Summary

Package: CAMERA
Version: 1.59.0
Command: /Library/Frameworks/R.framework/Resources/bin/R CMD check --install=check:CAMERA.install-out.txt --library=/Library/Frameworks/R.framework/Resources/library --no-vignettes --timings CAMERA_1.59.0.tar.gz
StartedAt: 2024-03-02 01:12:38 -0500 (Sat, 02 Mar 2024)
EndedAt: 2024-03-02 01:39:50 -0500 (Sat, 02 Mar 2024)
EllapsedTime: 1632.4 seconds
RetCode: 0
Status:   WARNINGS  
CheckDir: CAMERA.Rcheck
Warnings: 1

Command output

##############################################################################
##############################################################################
###
### Running command:
###
###   /Library/Frameworks/R.framework/Resources/bin/R CMD check --install=check:CAMERA.install-out.txt --library=/Library/Frameworks/R.framework/Resources/library --no-vignettes --timings CAMERA_1.59.0.tar.gz
###
##############################################################################
##############################################################################


* using log directory ‘/Users/biocbuild/bbs-3.19-bioc/meat/CAMERA.Rcheck’
* using R Under development (unstable) (2024-01-16 r85808)
* using platform: x86_64-apple-darwin20
* R was compiled by
    Apple clang version 14.0.0 (clang-1400.0.29.202)
    GNU Fortran (GCC) 12.2.0
* running under: macOS Monterey 12.7.1
* using session charset: UTF-8
* using option ‘--no-vignettes’
* checking for file ‘CAMERA/DESCRIPTION’ ... OK
* this is package ‘CAMERA’ version ‘1.59.0’
* checking package namespace information ... OK
* checking package dependencies ... NOTE
Package which this enhances but not available for checking: ‘Rmpi’
* 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 ‘CAMERA’ can be installed ... WARNING
Found the following significant warnings:
  fastMatch.c:65:81: warning: format specifies type 'int' but the argument has type 'unsigned long' [-Wformat]
See ‘/Users/biocbuild/bbs-3.19-bioc/meat/CAMERA.Rcheck/00install.out’ for details.
* used C compiler: ‘Apple clang version 14.0.0 (clang-1400.0.29.202)’
* used SDK: ‘MacOSX11.3.sdk’
* checking installed package size ... NOTE
  installed size is  8.8Mb
  sub-directories of 1Mb or more:
    mzML        2.7Mb
    quantiles   4.9Mb
* checking package directory ... OK
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... NOTE
Malformed Description field: should contain one or more complete sentences.
Packages listed in more than one of Depends, Imports, Suggests, Enhances:
  ‘methods’ ‘xcms’
A package should be listed in only one of these fields.
* 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 whether startup messages can be suppressed ... OK
* checking dependencies in R code ... NOTE
'library' or 'require' call to ‘methods’ which was already attached by Depends.
  Please remove these calls from your code.
There are ::: calls to the package's namespace in its code. A package
  almost never needs to use ::: for its own objects:
  ‘annotateGrp’ ‘combineHypothese’ ‘fastMatch’ ‘naOmit’
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... NOTE
Foreign function call to a different package:
  .Call("getEIC", ..., PACKAGE = "xcms")
See chapter ‘System and foreign language interfaces’ in the ‘Writing R
Extensions’ manual.
* checking R code for possible problems ... NOTE
File ‘CAMERA/R/zzz.R’:
  .onLoad calls:
    require(methods)

Package startup functions should not change the search path.
See section ‘Good practice’ in '?.onAttach'.

annotateGrp: no visible global function definition for ‘na.omit’
annotateGrpMPI2: no visible binding for global variable
  ‘papply_commondata’
cleanParallel: no visible global function definition for
  ‘mpi.close.Rslaves’
cleanParallel: no visible global function definition for ‘stopCluster’
compoundQuantiles: no visible global function definition for ‘tail’
createHypothese: no visible global function definition for ‘cutree’
createHypothese: no visible global function definition for ‘hclust’
createHypothese: no visible global function definition for ‘dist’
extractfragments: no visible global function definition for ‘median’
fast_corr: no visible global function definition for ‘pt’
findIsotopesForPS: no visible binding for global variable ‘tableMM48’
findKendrickMasses: no visible global function definition for ‘rainbow’
findKendrickMasses : <anonymous>: no visible global function definition
  for ‘lines’
findNeutralLoss: no visible global function definition for ‘dist’
findNeutralLossSpecs : <anonymous>: no visible global function
  definition for ‘dist’
fragments2metfrag : <anonymous>: no visible global function definition
  for ‘write.table’
fragments2metfusion : <anonymous>: no visible binding for global
  variable ‘object’
fragments2metfusion : <anonymous>: no visible global function
  definition for ‘write.table’
getIsotopeCluster : <anonymous>: no visible global function definition
  for ‘na.omit’
xsAnnotate: no visible global function definition for ‘mpi.comm.size’
xsAnnotate: no visible global function definition for
  ‘mpi.spawn.Rslaves’
xsAnnotate: no visible global function definition for ‘makeCluster’
xsAnnotate: no visible binding for global variable ‘graphMethod’
findAdducts,xsAnnotate: no visible global function definition for
  ‘mpi.comm.size’
findAdducts,xsAnnotate: no visible global function definition for
  ‘xcmsPapply’
findIsotopesWithValidation,xsAnnotate : <anonymous>: no visible global
  function definition for ‘median’
getReducedPeaklist,xsAnnotate : <anonymous> : <anonymous>: no visible
  global function definition for ‘median’
getReducedPeaklist,xsAnnotate : <anonymous>: no visible global function
  definition for ‘prcomp’
getReducedPeaklist,xsAnnotate : <anonymous>: no visible global function
  definition for ‘na.omit’
groupComplete,xsAnnotate: no visible global function definition for
  ‘dist’
groupComplete,xsAnnotate: no visible global function definition for
  ‘cutree’
groupComplete,xsAnnotate: no visible global function definition for
  ‘hclust’
groupDen,xsAnnotate: no visible global function definition for
  ‘density’
groupFWHM,xsAnnotate : <anonymous>: no visible global function
  definition for ‘na.omit’
plotEICs,xsAnnotate: no visible global function definition for
  ‘rainbow’
plotEICs,xsAnnotate: no visible global function definition for
  ‘na.omit’
plotPeakEICs,xsAnnotate : <anonymous>: no visible binding for global
  variable ‘pc’
plotPeakEICs,xsAnnotate: no visible binding for global variable ‘pspec’
plotPeakEICs,xsAnnotate: no visible global function definition for
  ‘rainbow’
plotPeakEICs,xsAnnotate: no visible global function definition for
  ‘na.omit’
plotPsSpectrum,xsAnnotate: no visible global function definition for
  ‘median’
plotPsSpectrum,xsAnnotate: no visible global function definition for
  ‘na.omit’
Undefined global functions or variables:
  cutree density dist graphMethod hclust lines makeCluster median
  mpi.close.Rslaves mpi.comm.size mpi.spawn.Rslaves na.omit object
  papply_commondata pc prcomp pspec pt rainbow stopCluster tableMM48
  tail write.table xcmsPapply
Consider adding
  importFrom("grDevices", "rainbow")
  importFrom("graphics", "lines")
  importFrom("stats", "cutree", "density", "dist", "hclust", "median",
             "na.omit", "prcomp", "pt")
  importFrom("utils", "tail", "write.table")
to your NAMESPACE file.
* checking Rd files ... NOTE
prepare_Rd: findKendrickMasses.Rd:21-22: Dropping empty section \details
* 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 for GNU extensions in Makefiles ... OK
* checking include directives in Makefiles ... OK
* checking compiled code ... NOTE
Note: information on .o files is not available
* checking sizes of PDF files under ‘inst/doc’ ... OK
* checking files in ‘vignettes’ ... OK
* checking examples ... OK
Examples with CPU (user + system) or elapsed time > 5s
                                     user system elapsed
getIsotopeCluster                  36.311 15.031  27.106
groupCorr-methods                  37.289  7.215  43.716
getAllPeakEICs-methods             11.706  3.765  10.240
annotate-methods                   12.568  2.887  17.662
groupFWHM-methods                   9.149  3.394  14.036
getReducedPeaklist-methods          8.750  3.504  13.645
getPeaklist-methods                 8.555  3.334  13.516
findAdducts-methods                 8.553  3.195  13.471
pspec2metfrag                       8.465  3.223  13.308
groupDen-methods                    7.523  3.033  12.048
findIsotopesWithValidation-methods  4.937  2.930   8.792
findIsotopes-methods                3.943  2.652   6.970
findNeutralLossSpecs                3.819  2.735   7.476
calcCaS-methods                     4.182  0.424   5.317
annotateDiffreport                  3.844  0.159  18.046
findNeutralLoss                     0.048  0.043   7.218
getpspectra                         0.036  0.032   7.546
* checking for unstated dependencies in ‘tests’ ... OK
* checking tests ...
  Running ‘runTests.R’
 OK
* checking for unstated dependencies in vignettes ... OK
* checking package vignettes ... OK
* checking running R code from vignettes ... SKIPPED
* checking re-building of vignette outputs ... SKIPPED
* checking PDF version of manual ... OK
* DONE

Status: 1 WARNING, 9 NOTEs
See
  ‘/Users/biocbuild/bbs-3.19-bioc/meat/CAMERA.Rcheck/00check.log’
for details.



Installation output

CAMERA.Rcheck/00install.out

##############################################################################
##############################################################################
###
### Running command:
###
###   /Library/Frameworks/R.framework/Resources/bin/R CMD INSTALL CAMERA
###
##############################################################################
##############################################################################


* installing to library ‘/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library’
* installing *source* package ‘CAMERA’ ...
** using staged installation
** libs
using C compiler: ‘Apple clang version 14.0.0 (clang-1400.0.29.202)’
using SDK: ‘MacOSX11.3.sdk’
clang -arch x86_64 -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG   -I/opt/R/x86_64/include    -fPIC  -falign-functions=64 -Wall -g -O2  -c fastMatch.c -o fastMatch.o
fastMatch.c:65:81: warning: format specifies type 'int' but the argument has type 'unsigned long' [-Wformat]
        error("fastMatch/calloc: memory could not be allocated ! (%d bytes)\n", nx  * sizeof(struct idxStruct) );
                                                                  ~~            ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
                                                                  %lu
1 warning generated.
clang -arch x86_64 -dynamiclib -Wl,-headerpad_max_install_names -undefined dynamic_lookup -L/Library/Frameworks/R.framework/Resources/lib -L/opt/R/x86_64/lib -o CAMERA.so fastMatch.o -F/Library/Frameworks/R.framework/.. -framework R -Wl,-framework -Wl,CoreFoundation
installing to /Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/00LOCK-CAMERA/00new/CAMERA/libs
** R
** data
** inst
** byte-compile and prepare package for lazy loading
** 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 (CAMERA)

Tests output

CAMERA.Rcheck/tests/runTests.Rout


R Under development (unstable) (2024-01-16 r85808) -- "Unsuffered Consequences"
Copyright (C) 2024 The R Foundation for Statistical Computing
Platform: x86_64-apple-darwin20

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.

> require("CAMERA") || stop("unable to load CAMERA")
Loading required package: CAMERA
Loading required package: Biobase
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, aperm, 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, table, tapply,
    union, unique, unsplit, which.max, which.min

Welcome to Bioconductor

    Vignettes contain introductory material; view with
    'browseVignettes()'. To cite Bioconductor, see
    'citation("Biobase")', and for packages 'citation("pkgname")'.

Loading required package: xcms
Loading required package: BiocParallel
Loading required package: MSnbase
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 2.29.3 
  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


This is xcms version 4.1.8 


Attaching package: 'xcms'

The following object is masked from 'package:stats':

    sigma

[1] TRUE
> BiocGenerics:::testPackage("CAMERA")
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/KO/ko15.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/KO/ko16.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/KO/ko18.CDF 
method:  bin 
step:  0.1 

/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/WT/wt15.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/WT/wt16.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/WT/wt18.CDF 
method:  bin 
step:  0.1 

/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/KO/ko19.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/KO/ko21.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/KO/ko22.CDF 
method:  bin 
step:  0.1 

/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/WT/wt19.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/WT/wt21.CDF 
method:  bin 
step:  0.1 
/Library/Frameworks/R.framework/Versions/4.4-x86_64/Resources/library/faahKO/cdf/WT/wt22.CDF 
method:  bin 
step:  0.1 

Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  321 
xsAnnotate has now 321 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 321 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating peak correlations across samples.
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  229 
xsAnnotate has now 229 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 229 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.

Calculating peak correlations across samples.
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  244 
xsAnnotate has now 244 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 244 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  321 
xsAnnotate has now 321 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 321 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  321 
xsAnnotate has now 321 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 321 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating isotope assignments in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  289 
xsAnnotate has now 289 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 289 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  321 
xsAnnotate has now 321 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 321 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  313 
xsAnnotate has now 313 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 313 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating peak correlations across samples.
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  229 
xsAnnotate has now 229 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 229 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating peak correlations across samples.
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  218 
xsAnnotate has now 218 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 218 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  375 
xsAnnotate has now 375 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 375 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  314 
xsAnnotate has now 314 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 314 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  375 
xsAnnotate has now 375 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 375 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  317 
xsAnnotate has now 317 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 317 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 61 
Start grouping after correlation.
Generating EIC's .. 

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  314 
xsAnnotate has now 314 groups, instead of 133 
Generating peak matrix for peak annotation!

Calculating possible adducts in 314 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 148 pseudospectra.
Start grouping after correlation.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 148 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 148 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  333 
xsAnnotate has now 333 groups, instead of 148 
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 22 
Generating peak matrix for peak annotation!
Found and use user-defined ruleset!
Calculating possible adducts in 333 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Start grouping after correlation.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  254 
xsAnnotate has now 254 groups, instead of 133 
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 32 
Generating peak matrix for peak annotation!
Found and use user-defined ruleset!
Calculating possible adducts in 254 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Start grouping after retention time.
Created 133 pseudospectra.
Start grouping after correlation.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  329 
xsAnnotate has now 329 groups, instead of 133 
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 20 
Generating peak matrix for peak annotation!
Found and use user-defined ruleset!
Calculating possible adducts in 329 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 456 regions of interest ... OK: 126 found.

Start grouping after retention time.
Created 14 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 20  50  60  70  80  90  100  
Found isotopes: 32 
Found and use user-defined ruleset!
Calculating possible adducts in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 456 regions of interest ... OK: 126 found.

Start grouping after retention time.
Created 14 pseudospectra.
Start grouping after correlation.

Calculating peak correlations in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  

Calculating graph cross linking in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  
New number of ps-groups:  35 
xsAnnotate has now 35 groups, instead of 14 
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 456 regions of interest ... OK: 126 found.

Created 11 pseudospectra.
Start grouping after retention time.
Created 148 pseudospectra.
Start grouping after correlation.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 148 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 148 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  333 
xsAnnotate has now 333 groups, instead of 148 
Start grouping after retention time.
Created 133 pseudospectra.
Start grouping after correlation.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  

Calculating graph cross linking in 133 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
New number of ps-groups:  329 
xsAnnotate has now 329 groups, instead of 133 
Start grouping after correlation.
Data was not preprocessed with groupFWHM, creating one pseudospectrum with all peaks.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 1 Groups... 
 % finished: 100  

Calculating graph cross linking in 1 Groups... 
 % finished: 100  
New number of ps-groups:  316 
xsAnnotate has now 316 groups, instead of 1 
Start grouping after correlation.
Data was not preprocessed with groupFWHM, creating one pseudospectrum with all peaks.
Generating EIC's .. 
Warning: Found NA peaks in selected sample.

Calculating peak correlations in 1 Groups... 
 % finished: 100  

Calculating graph cross linking in 1 Groups... 
 % finished: 100  
New number of ps-groups:  316 
xsAnnotate has now 316 groups, instead of 1 
Generating peak matrix!
Run isotope peak annotation
 % finished: 10  20  30  40  50  60  70  80  90  100  
Found isotopes: 22 
Generating peak matrix for peak annotation!
Found and use user-defined ruleset!
Calculating possible adducts in 316 Groups... 
 % finished: 10  20  30  40  50  60  70  80  90  100  
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 456 regions of interest ... OK: 126 found.

Start grouping after retention time.
Created 14 pseudospectra.
Start grouping after correlation.
Data was not preprocessed with groupFWHM, creating one pseudospectrum with all peaks.

Calculating peak correlations in 1 Groups... 
 % finished: 100  

Calculating graph cross linking in 1 Groups... 
 % finished: 100  
New number of ps-groups:  48 
xsAnnotate has now 48 groups, instead of 1 
Start grouping after correlation.

Calculating peak correlations in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  

Calculating graph cross linking in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  
New number of ps-groups:  48 
xsAnnotate has now 48 groups, instead of 14 
Start grouping after correlation.

Calculating peak correlations in 8 Groups... 
 % finished: 30  60  70  80  90  100  

Calculating graph cross linking in 8 Groups... 
 % finished: 30  60  70  80  90  100  
New number of ps-groups:  29 
xsAnnotate has now 29 groups, instead of 14 
Generating peak matrix!
Run isotope peak annotation
 % finished: 20  50  60  70  80  90  100  
Found isotopes: 32 
Start grouping after correlation.

Calculating peak correlations in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  

Calculating graph cross linking in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  
New number of ps-groups:  48 
xsAnnotate has now 48 groups, instead of 14 
xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 32 
Found and use user-defined ruleset!
Calculating possible adducts in 1 Groups... 
 % finished: 100  
Generating peak matrix!
Run isotope peak annotation
 % finished: 20  40  50  60  70  80  90  100  
Found isotopes: 23 

Calculating possible adducts in 48 Groups... 
 % finished: 20  40  50  60  70  80  90  100  

Calculating possible adducts in 8 Groups... 
 % finished: 10  
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 456 regions of interest ... OK: 126 found.

Start grouping after retention time.
Created 14 pseudospectra.
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 456 regions of interest ... OK: 126 found.

Start grouping after retention time.
Created 14 pseudospectra.
Generating peak matrix!
Run isotope peak annotation
 % finished: 20  50  60  70  80  90  100  
Found isotopes: 32 

Calculating possible adducts in 14 Groups... 
 % finished: 20  50  60  70  80  90  100  


RUNIT TEST PROTOCOL -- Sat Mar  2 01:39:33 2024 
*********************************************** 
Number of test functions: 20 
Number of errors: 0 
Number of failures: 0 

 
1 Test Suite : 
CAMERA RUnit Tests - 20 test functions, 0 errors, 0 failures
Number of test functions: 20 
Number of errors: 0 
Number of failures: 0 
> 
> proc.time()
   user  system elapsed 
549.613  38.945 645.035 

Example timings

CAMERA.Rcheck/CAMERA-Ex.timings

nameusersystemelapsed
annotate-methods12.568 2.88717.662
annotateDiffreport 3.844 0.15918.046
calcCaS-methods4.1820.4245.317
cleanParallel0.0010.0000.001
combinexsAnnos0.0000.0010.001
compoundLibraries0.0020.0010.004
compoundQuantiles0.1610.0230.222
findAdducts-methods 8.553 3.19513.471
findIsotopes-methods3.9432.6526.970
findIsotopesWithValidation-methods4.9372.9308.792
findKendrickMasses3.9450.3464.907
findNeutralLoss0.0480.0437.218
findNeutralLossSpecs3.8192.7357.476
getAllPeakEICs-methods11.706 3.76510.240
getAtomCount-compoundQuantiles-method0.1450.0090.178
getIsotopeCluster36.31115.03127.106
getIsotopeProportion-compoundQuantiles-method0.1600.0350.226
getPeaklist-methods 8.555 3.33413.516
getReducedPeaklist-methods 8.750 3.50413.645
getpspectra0.0360.0327.546
groupCorr-methods37.289 7.21543.716
groupDen-methods 7.523 3.03312.048
groupFWHM-methods 9.149 3.39414.036
massWindowSizes0.0020.0020.007
pspec2metfrag 8.465 3.22313.308
ruleSet-class0.1230.0040.152
xsAnnotate3.6890.1004.367