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CHECK report for msPurity on tokay1

This page was generated on 2020-04-15 12:26:44 -0400 (Wed, 15 Apr 2020).

Package 1103/1823HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
msPurity 1.12.2
Thomas N. Lawson
Snapshot Date: 2020-04-14 16:46:13 -0400 (Tue, 14 Apr 2020)
URL: https://git.bioconductor.org/packages/msPurity
Branch: RELEASE_3_10
Last Commit: 2c0f0f1
Last Changed Date: 2020-03-26 13:49:40 -0400 (Thu, 26 Mar 2020)
malbec1 Linux (Ubuntu 18.04.4 LTS) / x86_64  OK  OK  OK UNNEEDED, same version exists in internal repository
tokay1 Windows Server 2012 R2 Standard / x64  OK  OK [ OK ] OK UNNEEDED, same version exists in internal repository
merida1 OS X 10.11.6 El Capitan / x86_64  OK  ERROR  skipped  skipped 

Summary

Package: msPurity
Version: 1.12.2
Command: C:\Users\biocbuild\bbs-3.10-bioc\R\bin\R.exe CMD check --force-multiarch --install=check:msPurity.install-out.txt --library=C:\Users\biocbuild\bbs-3.10-bioc\R\library --no-vignettes --timings msPurity_1.12.2.tar.gz
StartedAt: 2020-04-15 04:58:05 -0400 (Wed, 15 Apr 2020)
EndedAt: 2020-04-15 05:16:56 -0400 (Wed, 15 Apr 2020)
EllapsedTime: 1131.6 seconds
RetCode: 0
Status:  OK  
CheckDir: msPurity.Rcheck
Warnings: 0

Command output

##############################################################################
##############################################################################
###
### Running command:
###
###   C:\Users\biocbuild\bbs-3.10-bioc\R\bin\R.exe CMD check --force-multiarch --install=check:msPurity.install-out.txt --library=C:\Users\biocbuild\bbs-3.10-bioc\R\library --no-vignettes --timings msPurity_1.12.2.tar.gz
###
##############################################################################
##############################################################################


* using log directory 'C:/Users/biocbuild/bbs-3.10-bioc/meat/msPurity.Rcheck'
* using R version 3.6.3 (2020-02-29)
* using platform: x86_64-w64-mingw32 (64-bit)
* using session charset: ISO8859-1
* using option '--no-vignettes'
* checking for file 'msPurity/DESCRIPTION' ... OK
* checking extension type ... Package
* this is package 'msPurity' version '1.12.2'
* package encoding: UTF-8
* checking package namespace information ... OK
* checking package dependencies ... OK
* checking if this is a source package ... OK
* checking if there is a namespace ... OK
* checking for hidden files and directories ... NOTE
Found the following hidden files and directories:
  .travis.yml
These were most likely included in error. See section 'Package
structure' in the 'Writing R Extensions' manual.
* checking for portable file names ... OK
* checking whether package 'msPurity' can be installed ... OK
* checking installed package size ... NOTE
  installed size is 12.7Mb
  sub-directories of 1Mb or more:
    extdata  11.8Mb
* checking package directory ... OK
* checking 'build' directory ... OK
* checking DESCRIPTION meta-information ... OK
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
* checking R files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* loading checks for arch 'i386'
** 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
* loading checks for arch 'x64'
** 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
Namespaces in Imports field not imported from:
  'dbplyr' 'jsonlite' 'uuid'
  All declared Imports should be used.
Package in Depends field not imported from: 'Rcpp'
  These packages need to be imported from (in the NAMESPACE file)
  for when this namespace is loaded but not attached.
Missing or unexported object: 'stats::mean'
package 'methods' is used but not declared
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... NOTE
addGenericMS1LookupResults: no visible global function definition for
  'count.fields'
addMetFragResults: no visible global function definition for
  'count.fields'
addSiriusResults: no visible global function definition for
  'count.fields'
assessPuritySingle: no visible binding for global variable 'parallel'
combineAnnotations: no visible binding for global variable
  'compoundDbname'
dimsPredictPuritySingleMz: no visible binding for global variable
  'mtchi'
dimsPredictPuritySingleMz: no visible binding for global variable
  'alli'
dimsPredictPuritySingleMz: no visible binding for global variable
  'mtch'
filterPrecursors: no visible binding for global variable
  'l_speakmetaFiltered'
filterSMeta: no visible binding for global variable 'accession'
filterSMeta: no visible binding for global variable 'inPurity'
filterSMeta: no visible global function definition for 'lower'
filterSMeta: no visible binding for global variable 'polarity'
filterSMeta: no visible binding for global variable 'instrument_type'
filterSMeta: no visible binding for global variable 'instrument'
filterSMeta: no visible binding for global variable 'name.y'
filterSMeta: no visible binding for global variable 'retention_time'
filterSMeta: no visible binding for global variable 'grpid'
filterSMeta: no visible binding for global variable 'pid'
filterSMeta: no visible binding for global variable 'spectrum_type'
getScanPeaksSqlite: no visible binding for global variable 'pid'
getScanPeaksSqlite: no visible binding for global variable
  'library_spectra_meta_id'
getScanPeaksSqlite: no visible binding for global variable 'pass_flag'
getScanPeaksSqlite: no visible binding for global variable 'type'
getScanPeaksSqlite: no visible binding for global variable
  'spectraType'
getScanPeaksSqlite: no visible binding for global variable 'ra'
getSmeta: no visible binding for global variable 'pid'
get_topn: no visible binding for global variable 'topn'
getxcmsSetObject: no visible global function definition for
  'sampclass<-'
matchi: no visible global function definition for 'match_factor'
plotPurity: no visible binding for global variable 'idx'
plotPurity: no visible binding for global variable 'purity'
plotPurity: no visible binding for global variable 'variable'
purityA: no visible binding for global variable 'i'
queryVlibrary: no visible binding for global variable 'precursor_mz'
queryVlibrary: no visible binding for global variable 'retention_time'
queryVlibrarySingle: no visible binding for global variable 'pid'
queryVlibrarySingle: no visible binding for global variable
  'library_spectra_meta_id'
averageSpectra,purityD: no visible binding for global variable 'i'
subtract,purityD: no visible binding for global variable 'i'
Undefined global functions or variables:
  accession alli compoundDbname count.fields grpid i idx inPurity
  instrument instrument_type l_speakmetaFiltered
  library_spectra_meta_id lower match_factor mtch mtchi name.y parallel
  pass_flag pid polarity precursor_mz purity ra retention_time
  sampclass<- spectraType spectrum_type topn type variable
Consider adding
  importFrom("utils", "count.fields")
to your NAMESPACE file.
* 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 files in 'vignettes' ... OK
* checking examples ...
** running examples for arch 'i386' ... OK
Examples with CPU or elapsed time > 5s
                                  user system elapsed
dimsPredictPurity-purityD-method 48.53   1.77   50.33
frag4feature-purityA-method      44.78   0.19   55.95
combineAnnotations               12.45   0.52   13.29
spectralMatching                  9.08   2.66  142.55
createDatabase                    9.58   0.98   11.60
subtract-purityD-method           8.03   1.43    9.47
flag_remove                       8.89   0.40   34.99
assessPuritySingle                9.19   0.04    9.79
groupPeaks-purityD-method         7.16   1.09    8.25
purityA                           7.87   0.05    7.92
filterp-purityD-method            6.08   1.14    7.23
groupPeaksEx                      5.67   1.28    6.95
purityX                           5.96   0.45   25.30
averageSpectra-purityD-method     4.33   1.36    5.78
** running examples for arch 'x64' ... OK
Examples with CPU or elapsed time > 5s
                                  user system elapsed
dimsPredictPurity-purityD-method 44.44   1.10   45.55
frag4feature-purityA-method      39.39   0.09   53.30
purityA                          11.14   0.08   11.21
assessPuritySingle               11.08   0.06   11.13
combineAnnotations               10.81   0.29   11.14
flag_remove                       9.16   0.21   28.55
createDatabase                    8.14   0.46    8.60
groupPeaks-purityD-method         7.17   1.17    8.34
filterp-purityD-method            6.50   1.29    7.79
groupPeaksEx                      6.22   1.16    7.38
spectralMatching                  5.53   1.83    7.36
subtract-purityD-method           5.97   1.14    7.11
purityX                           6.69   0.20   20.81
* checking for unstated dependencies in 'tests' ... OK
* checking tests ...
** running tests for arch 'i386' ...
  Running 'testthat.R'
 OK
** running tests for arch 'x64' ...
  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: 4 NOTEs
See
  'C:/Users/biocbuild/bbs-3.10-bioc/meat/msPurity.Rcheck/00check.log'
for details.



Installation output

msPurity.Rcheck/00install.out

##############################################################################
##############################################################################
###
### Running command:
###
###   C:\cygwin\bin\curl.exe -O https://malbec1.bioconductor.org/BBS/3.10/bioc/src/contrib/msPurity_1.12.2.tar.gz && rm -rf msPurity.buildbin-libdir && mkdir msPurity.buildbin-libdir && C:\Users\biocbuild\bbs-3.10-bioc\R\bin\R.exe CMD INSTALL --merge-multiarch --build --library=msPurity.buildbin-libdir msPurity_1.12.2.tar.gz && C:\Users\biocbuild\bbs-3.10-bioc\R\bin\R.exe CMD INSTALL msPurity_1.12.2.zip && rm msPurity_1.12.2.tar.gz msPurity_1.12.2.zip
###
##############################################################################
##############################################################################


  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current
                                 Dload  Upload   Total   Spent    Left  Speed

  0     0    0     0    0     0      0      0 --:--:-- --:--:-- --:--:--     0
100 7190k  100 7190k    0     0  57.6M      0 --:--:-- --:--:-- --:--:-- 59.5M

install for i386

* installing *source* package 'msPurity' ...
** using staged installation
** R
** inst
** byte-compile and prepare package for lazy loading
** help
*** installing help indices
  converting help for package 'msPurity'
    finding HTML links ... done
    Getfiles                                html  
    assessPuritySingle                      html  
    averageAllFragSpectra-purityA-method    html  
    averageInterFragSpectra-purityA-method
                                            html  
    averageIntraFragSpectra-purityA-method
                                            html  
    averageSpectra-purityD-method           html  
    averageSpectraSingle                    html  
    combineAnnotations                      html  
    createDatabase                          html  
    createMSP-purityA-method                html  
    create_database                         html  
    dimsPredictPurity-purityD-method        html  
    dimsPredictPuritySingle                 html  
    filterFragSpectra-purityA-method        html  
    filterp-purityD-method                  html  
    flag_remove                             html  
    frag4feature-purityA-method             html  
    getP-purityD-method                     html  
    get_additional_mzml_meta                html  
    groupPeaks-purityD-method               html  
    groupPeaksEx                            html  
    initialize-purityD-method               html  
    iwNormGauss                             html  
    iwNormQE.5                              html  
    iwNormRcosine                           html  
    msPurity                                html  
    pcalc                                   html  
    purityA                                 html  
    purityD-class                           html  
    purityX                                 html  
    show-purityA-method                     html  
    show-purityD-method                     html  
    show-purityX-method                     html  
    spectralMatching                        html  
    spectral_matching                       html  
    subtract-purityD-method                 html  
    subtractMZ                              html  
    validate-purityA-method                 html  
    writeOut-purityD-method                 html  
** building package indices
** installing vignettes
** testing if installed package can be loaded from temporary location
** testing if installed package can be loaded from final location
** testing if installed package keeps a record of temporary installation path

install for x64

* installing *source* package 'msPurity' ...
** testing if installed package can be loaded
* MD5 sums
packaged installation of 'msPurity' as msPurity_1.12.2.zip
* DONE (msPurity)
* installing to library 'C:/Users/biocbuild/bbs-3.10-bioc/R/library'
package 'msPurity' successfully unpacked and MD5 sums checked

Tests output

msPurity.Rcheck/tests_i386/testthat.Rout


R version 3.6.3 (2020-02-29) -- "Holding the Windsock"
Copyright (C) 2020 The R Foundation for Statistical Computing
Platform: i386-w64-mingw32/i386 (32-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(msPurity)
Loading required package: Rcpp
> Sys.setenv("R_TESTS" = "")
> test_check("msPurity")
[1] "\n"
[1] "########################################################"
[1] "## Checking pcalc functions                           ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking purityA                                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking frag4feature                              ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking frag4feature                              ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking filterFragSpectra                         ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageIntraFragSpectra                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageInterFragSpectra                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageAllFragSpectra                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageIntraFragSpectra (with filter)     ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageInterFragSpectra (with filter)     ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageAllFragSpectra  (with filter)    ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking createMSP functions                       ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## checking flag and remove (lc-ms)                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking database (old schema)                     ##"
[1] "########################################################"
[1] "\n"
[1] "#######################################################"
[1] "## Checking database (new schema)                    ##"
[1] "#######################################################"
[1] "\n"
[1] "########################################################"
[1] "## Testing spectral matching (spectralMatching)  qvl  ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Testing spectral matching (spectralMatching)  lvl  ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Testing spectral matching (spectralMatching)   qvq ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking combine annotations based functions       ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking purityX (grouped)                         ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking purityX (single file)                     ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking file list function                        ##"
[1] "########################################################"
[1] "=== check for using csv ==="
[1] "=== check for using mzML ==="
[1] "########################################################"
[1] "## Check average spectra (function only)              ##"
[1] "########################################################"
[1] "=== check single core ==="
[1] "=== check simple clustering ==="
[1] "=== check using MsFileReader output (median SNR thres) ==="
snmeth: median[1] "=== check using MsFileReader output (precalc SNR thres) ==="
snmeth: precalc[1] "########################################################"
[1] "## Check mz subtraction (function only)               ##"
[1] "########################################################"
[1] "########################################################"
[1] "## Check predict purity (function only)               ##"
[1] "########################################################"
[1] "=== Check predicted purity for mzML files ==="
[1] "########################################################"
[1] "## Check groupPeaks (function only)               ##"
[1] "########################################################"
[1] "=== check single core ==="
[1] "########################################################"
[1] "## Check mzML Workflow                                ##"
[1] "########################################################"
[1] "averaging spectra"
[1] "filtering spectra"
[1] "subtracting"
[1] "purity prediction"
== testthat results  ===========================================================
[ OK: 176 | SKIPPED: 0 | WARNINGS: 0 | FAILED: 0 ]
Warning message:
call dbDisconnect() when finished working with a connection 
> 
> proc.time()
   user  system elapsed 
 163.87    7.54  202.89 

msPurity.Rcheck/tests_x64/testthat.Rout


R version 3.6.3 (2020-02-29) -- "Holding the Windsock"
Copyright (C) 2020 The R Foundation for Statistical Computing
Platform: x86_64-w64-mingw32/x64 (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> library(testthat)
> library(msPurity)
Loading required package: Rcpp
> Sys.setenv("R_TESTS" = "")
> test_check("msPurity")
[1] "\n"
[1] "########################################################"
[1] "## Checking pcalc functions                           ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking purityA                                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking frag4feature                              ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking frag4feature                              ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking filterFragSpectra                         ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageIntraFragSpectra                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageInterFragSpectra                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageAllFragSpectra                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageIntraFragSpectra (with filter)     ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageInterFragSpectra (with filter)     ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking averageAllFragSpectra  (with filter)    ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking createMSP functions                       ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## checking flag and remove (lc-ms)                   ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking database (old schema)                     ##"
[1] "########################################################"
[1] "\n"
[1] "#######################################################"
[1] "## Checking database (new schema)                    ##"
[1] "#######################################################"
[1] "\n"
[1] "########################################################"
[1] "## Testing spectral matching (spectralMatching)  qvl  ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Testing spectral matching (spectralMatching)  lvl  ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Testing spectral matching (spectralMatching)   qvq ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking combine annotations based functions       ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking purityX (grouped)                         ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking purityX (single file)                     ##"
[1] "########################################################"
[1] "\n"
[1] "########################################################"
[1] "## Checking file list function                        ##"
[1] "########################################################"
[1] "=== check for using csv ==="
[1] "=== check for using mzML ==="
[1] "########################################################"
[1] "## Check average spectra (function only)              ##"
[1] "########################################################"
[1] "=== check single core ==="
[1] "=== check simple clustering ==="
[1] "=== check using MsFileReader output (median SNR thres) ==="
snmeth: median[1] "=== check using MsFileReader output (precalc SNR thres) ==="
snmeth: precalc[1] "########################################################"
[1] "## Check mz subtraction (function only)               ##"
[1] "########################################################"
[1] "########################################################"
[1] "## Check predict purity (function only)               ##"
[1] "########################################################"
[1] "=== Check predicted purity for mzML files ==="
[1] "########################################################"
[1] "## Check groupPeaks (function only)               ##"
[1] "########################################################"
[1] "=== check single core ==="
[1] "########################################################"
[1] "## Check mzML Workflow                                ##"
[1] "########################################################"
[1] "averaging spectra"
[1] "filtering spectra"
[1] "subtracting"
[1] "purity prediction"
== testthat results  ===========================================================
[ OK: 176 | SKIPPED: 0 | WARNINGS: 0 | FAILED: 0 ]
Warning message:
call dbDisconnect() when finished working with a connection 
> 
> proc.time()
   user  system elapsed 
 161.42    6.82  198.98 

Example timings

msPurity.Rcheck/examples_i386/msPurity-Ex.timings

nameusersystemelapsed
Getfiles0.020.000.01
assessPuritySingle9.190.049.79
averageAllFragSpectra-purityA-method0.820.030.91
averageInterFragSpectra-purityA-method1.610.001.64
averageIntraFragSpectra-purityA-method2.540.002.61
averageSpectra-purityD-method4.331.365.78
averageSpectraSingle1.970.652.62
combineAnnotations12.45 0.5213.29
createDatabase 9.58 0.9811.60
createMSP-purityA-method0.310.080.40
create_database1.720.221.93
dimsPredictPurity-purityD-method48.53 1.7750.33
dimsPredictPuritySingle0.060.000.06
filterFragSpectra-purityA-method0.190.000.19
filterp-purityD-method6.081.147.23
flag_remove 8.89 0.4034.99
frag4feature-purityA-method44.78 0.1955.95
getP-purityD-method000
get_additional_mzml_meta0.010.000.02
groupPeaks-purityD-method7.161.098.25
groupPeaksEx5.671.286.95
initialize-purityD-method000
iwNormGauss000
iwNormQE.50.020.000.02
iwNormRcosine000
pcalc000
purityA7.870.057.92
purityD-class000
purityX 5.96 0.4525.30
spectralMatching 9.08 2.66142.55
spectral_matching000
subtract-purityD-method8.031.439.47
subtractMZ000

msPurity.Rcheck/examples_x64/msPurity-Ex.timings

nameusersystemelapsed
Getfiles000
assessPuritySingle11.08 0.0611.13
averageAllFragSpectra-purityA-method1.040.001.04
averageInterFragSpectra-purityA-method1.960.032.00
averageIntraFragSpectra-purityA-method2.550.002.54
averageSpectra-purityD-method3.501.244.74
averageSpectraSingle1.800.502.29
combineAnnotations10.81 0.2911.14
createDatabase8.140.468.60
createMSP-purityA-method0.690.040.73
create_database2.250.142.39
dimsPredictPurity-purityD-method44.44 1.1045.55
dimsPredictPuritySingle0.060.000.06
filterFragSpectra-purityA-method0.220.000.22
filterp-purityD-method6.501.297.79
flag_remove 9.16 0.2128.55
frag4feature-purityA-method39.39 0.0953.30
getP-purityD-method0.020.000.01
get_additional_mzml_meta0.010.000.02
groupPeaks-purityD-method7.171.178.34
groupPeaksEx6.221.167.38
initialize-purityD-method0.020.000.01
iwNormGauss000
iwNormQE.5000
iwNormRcosine000
pcalc000
purityA11.14 0.0811.21
purityD-class000
purityX 6.69 0.2020.81
spectralMatching5.531.837.36
spectral_matching000
subtract-purityD-method5.971.147.11
subtractMZ000