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This page was generated on 2024-03-27 11:35:57 -0400 (Wed, 27 Mar 2024).

HostnameOSArch (*)R versionInstalled pkgs
nebbiolo2Linux (Ubuntu 22.04.3 LTS)x86_644.3.3 (2024-02-29) -- "Angel Food Cake" 4667
palomino4Windows Server 2022 Datacenterx644.3.3 (2024-02-29 ucrt) -- "Angel Food Cake" 4403
merida1macOS 12.7.1 Montereyx86_644.3.3 (2024-02-29) -- "Angel Food Cake" 4426
Click on any hostname to see more info about the system (e.g. compilers)      (*) as reported by 'uname -p', except on Windows and Mac OS X

Package 1044/2266HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
IPO 1.28.0  (landing page)
Thomas Lieb
Snapshot Date: 2024-03-25 14:05:07 -0400 (Mon, 25 Mar 2024)
git_url: https://git.bioconductor.org/packages/IPO
git_branch: RELEASE_3_18
git_last_commit: b8fc711
git_last_commit_date: 2023-10-24 10:51:59 -0400 (Tue, 24 Oct 2023)
nebbiolo2Linux (Ubuntu 22.04.3 LTS) / x86_64  OK    OK    OK  UNNEEDED, same version is already published
palomino4Windows Server 2022 Datacenter / x64  OK    OK    OK    OK  UNNEEDED, same version is already published
merida1macOS 12.7.1 Monterey / x86_64  OK    OK    OK    OK  UNNEEDED, same version is already published
kjohnson1macOS 13.6.1 Ventura / arm64see weekly results here

CHECK results for IPO on nebbiolo2


To the developers/maintainers of the IPO package:
- Allow up to 24 hours (and sometimes 48 hours) for your latest push to git@git.bioconductor.org:packages/IPO.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: IPO
Version: 1.28.0
Command: /home/biocbuild/bbs-3.18-bioc/R/bin/R CMD check --install=check:IPO.install-out.txt --library=/home/biocbuild/bbs-3.18-bioc/R/site-library --timings IPO_1.28.0.tar.gz
StartedAt: 2024-03-25 23:23:50 -0400 (Mon, 25 Mar 2024)
EndedAt: 2024-03-25 23:53:43 -0400 (Mon, 25 Mar 2024)
EllapsedTime: 1792.9 seconds
RetCode: 0
Status:   OK  
CheckDir: IPO.Rcheck
Warnings: 0

Command output

##############################################################################
##############################################################################
###
### Running command:
###
###   /home/biocbuild/bbs-3.18-bioc/R/bin/R CMD check --install=check:IPO.install-out.txt --library=/home/biocbuild/bbs-3.18-bioc/R/site-library --timings IPO_1.28.0.tar.gz
###
##############################################################################
##############################################################################


* using log directory ‘/home/biocbuild/bbs-3.18-bioc/meat/IPO.Rcheck’
* using R version 4.3.3 (2024-02-29)
* using platform: x86_64-pc-linux-gnu (64-bit)
* R was compiled by
    gcc (Ubuntu 11.4.0-1ubuntu1~22.04) 11.4.0
    GNU Fortran (Ubuntu 11.4.0-1ubuntu1~22.04) 11.4.0
* running under: Ubuntu 22.04.4 LTS
* using session charset: UTF-8
* checking for file ‘IPO/DESCRIPTION’ ... OK
* checking extension type ... Package
* this is package ‘IPO’ version ‘1.28.0’
* checking package namespace information ... OK
* checking package dependencies ... OK
* checking if this is a source package ... OK
* checking if there is a namespace ... OK
* checking for hidden files and directories ... OK
* checking for portable file names ... OK
* checking for sufficient/correct file permissions ... OK
* checking whether package ‘IPO’ can be installed ... OK
* checking installed package size ... OK
* checking package directory ... OK
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... NOTE
License components with restrictions not permitted:
  GPL (>= 2) + file LICENSE
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
* checking R files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* checking whether the package can be loaded ... OK
* checking whether the package can be loaded with stated dependencies ... OK
* checking whether the package can be unloaded cleanly ... OK
* checking whether the namespace can be loaded with stated dependencies ... OK
* checking whether the namespace can be unloaded cleanly ... OK
* checking loading without being on the library search path ... OK
* checking dependencies in R code ... OK
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... OK
* 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 ... OK
Examples with CPU (user + system) or elapsed time > 5s
         user system elapsed
calcPPS 3.378  0.132   6.134
* checking for unstated dependencies in ‘tests’ ... OK
* checking tests ...
  Running ‘runTests.R’
 OK
* checking for unstated dependencies in vignettes ... OK
* checking package vignettes in ‘inst/doc’ ... OK
* checking running R code from vignettes ...
  ‘IPO.Rmd’ using ‘UTF-8’... OK
 NONE
* checking re-building of vignette outputs ... OK
* checking PDF version of manual ... OK
* DONE

Status: 1 NOTE
See
  ‘/home/biocbuild/bbs-3.18-bioc/meat/IPO.Rcheck/00check.log’
for details.



Installation output

IPO.Rcheck/00install.out

##############################################################################
##############################################################################
###
### Running command:
###
###   /home/biocbuild/bbs-3.18-bioc/R/bin/R CMD INSTALL IPO
###
##############################################################################
##############################################################################


* installing to library ‘/home/biocbuild/bbs-3.18-bioc/R/site-library’
* installing *source* package ‘IPO’ ...
** using staged installation
** R
** 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
** testing if installed package can be loaded from final location
** testing if installed package keeps a record of temporary installation path
* DONE (IPO)

Tests output

IPO.Rcheck/tests/runTests.Rout


R version 4.3.3 (2024-02-29) -- "Angel Food Cake"
Copyright (C) 2024 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (64-bit)

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

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

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

> library("msdata")
> 
> BiocGenerics:::testPackage("IPO")

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, sort, 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")'.


Attaching package: 'S4Vectors'

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

    findMatches

The following objects are masked from 'package:base':

    I, expand.grid, unname


Attaching package: 'ProtGenerics'

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

    smooth


This is MSnbase version 2.28.1 
  Visit https://lgatto.github.io/MSnbase/ to get started.


Attaching package: 'MSnbase'

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

    trimws


This is xcms version 4.0.2 


Attaching package: 'xcms'

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

    sigma


Attaching package: 'IPO'

The following object is masked from 'package:S4Vectors':

    decode




starting new DoE with:
min_peakwidth: c(3, 9.5)
max_peakwidth: c(10, 20)
ppm: 56
mzdiff: -0.001
snthresh: 10
noise: 0
prefilter: 3
value_of_prefilter: 100
mzCenterFun: wMean
integrate: 1
fitgauss: FALSE
verbose.columns: FALSE

1
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 235 found.

2
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

3
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 88 found.

4
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

5
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 194 found.

6
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 215 found.

7
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

8
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 149 found.

9
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 101 found.

10
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 194 found.

Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 628 regions of interest ... OK: 225 found.




starting new DoE with:
min_peakwidth: c(3, 8.2)
max_peakwidth: c(9.2, 19.2)
ppm: 56
mzdiff: -0.001
snthresh: 10
noise: 0
prefilter: 3
value_of_prefilter: 100
mzCenterFun: wMean
integrate: 1
fitgauss: FALSE
verbose.columns: FALSE

1
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 235 found.

2
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 372 regions of interest ... FAIL: none found!

3
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 143 found.

4
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 372 regions of interest ... FAIL: none found!

5
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 628 regions of interest ... OK: 222 found.

6
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 225 found.

7
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 372 regions of interest ... FAIL: none found!

8
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 628 regions of interest ... OK: 144 found.

9
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 628 regions of interest ... OK: 139 found.

10
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 628 regions of interest ... OK: 222 found.

Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 718 regions of interest ... OK: 220 found.

no increase, stopping
best parameter settings:
min_peakwidth: 5.6
max_peakwidth: 13
ppm: 56
mzdiff: -0.001
snthresh: 10
noise: 0
prefilter: 3
value_of_prefilter: 100
mzCenterFun: wMean
integrate: 1
fitgauss: FALSE
verbose.columns: FALSE




starting new DoE with:
min_peakwidth: c(3, 9.5)
max_peakwidth: c(10, 20)
ppm: 56
mzdiff: -0.001
snthresh: 10
noise: 0
prefilter: 3
value_of_prefilter: 100
mzCenterFun: wMean
integrate: 1
fitgauss: FALSE
verbose.columns: FALSE

1
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 235 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 59 
2
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

3
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 88 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 18 
4
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

5
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 194 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 52 
6
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 215 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 55 
7
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

8
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 149 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 35 
9
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 101 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 26 
10
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 194 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 52 
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 718 regions of interest ... OK: 221 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 62 



starting new DoE with:
min_peakwidth: c(3, 9.5)
max_peakwidth: c(10.5, 20.5)
ppm: 56
mzdiff: -0.001
snthresh: 10
noise: 0
prefilter: 3
value_of_prefilter: 100
mzCenterFun: wMean
integrate: 1
fitgauss: FALSE
verbose.columns: FALSE

1
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 244 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 57 
2
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

3
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 88 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 18 
4
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

5
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 192 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 50 
6
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 805 regions of interest ... OK: 215 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 55 
7
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 283 regions of interest ... FAIL: none found!

8
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 149 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 35 
9
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 101 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 26 
10
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 536 regions of interest ... OK: 192 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 50 
Detecting mass traces at 56 ppm ... OK
Detecting chromatographic peaks in 718 regions of interest ... OK: 218 found.

xsAnnotate contains no pseudospectra. Regroup all peaks into one!
Generating peak matrix!
Run isotope peak annotation
 % finished: 100  
Found isotopes: 60 
no increase, stopping
best parameter settings:
min_peakwidth: 4.95
max_peakwidth: 13.5
ppm: 56
mzdiff: -0.001
snthresh: 10
noise: 0
prefilter: 3
value_of_prefilter: 100
mzCenterFun: wMean
integrate: 1
fitgauss: FALSE
verbose.columns: FALSE

Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 217 regions of interest ... OK: 194 found.

Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 211 regions of interest ... OK: 196 found.




starting new DoE with:

distFunc: cor_opt
gapInit: 0.34
gapExtend: c(2.1, 2.7)
profStep: 1
plottype: none
response: 1
factorDiag: 2
factorGap: 1
localAlignment: 0
retcorMethod: obiwarp
bw: c(22, 38)
minfrac: 1
mzwid: 0.026
minsamp: 1
max: 50
center: 2

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK




starting new DoE with:

gapExtend: c(1.74, 2.46)
bw: c(12.4, 31.6)
distFunc: cor_opt
gapInit: 0.34
profStep: 1
plottype: none
response: 1
factorDiag: 2
factorGap: 1
localAlignment: 0
retcorMethod: obiwarp
minfrac: 1
mzwid: 0.026
minsamp: 1
max: 50
center: 2

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

center sample:  MSpos-Ex1-Col0-48h-Ag-2_1-A,1_01_9820 
Processing: MSpos-Ex1-Col0-48h-Ag-1_1-A,1_01_9818  Create profile matrix with method 'bin' and step 1 ... OK
Create profile matrix with method 'bin' and step 1 ... OK

no increase stopping



starting new DoE with:

missing: 0
extra: 0
span: c(0.1, 0.3)
smooth: loess
family: gaussian
plottype: none
retcorMethod: loess
bw: c(22, 38)
minfrac: c(0.3, 0.7)
mzwid: c(0.015, 0.035)
minsamp: 1
max: 50
center: 2

Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 179 peak groups.
Performing retention time correction using 179 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 179 peak groups.
Performing retention time correction using 179 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 183 peak groups.
Performing retention time correction using 185 peak groups.



starting new DoE with:

span: c(0.001, 0.22)
bw: c(12.4, 31.6)
minfrac: c(0.46, 0.94)
mzwid: c(0.009, 0.029)
missing: 0
extra: 0
smooth: loess
family: gaussian
plottype: none
retcorMethod: loess
minsamp: 1
max: 50
center: 2

Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 181 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
Performing retention time correction using 185 peak groups.
no increase stopping


RUNIT TEST PROTOCOL -- Mon Mar 25 23:36:26 2024 
*********************************************** 
Number of test functions: 1 
Number of errors: 0 
Number of failures: 0 

 
1 Test Suite : 
IPO RUnit Tests - 1 test function, 0 errors, 0 failures
Number of test functions: 1 
Number of errors: 0 
Number of failures: 0 
There were 30 warnings (use warnings() to see them)
> 
> proc.time()
   user  system elapsed 
412.897  63.580 467.114 

Example timings

IPO.Rcheck/IPO-Ex.timings

nameusersystemelapsed
IPO-package000
attachList000
calcPPS3.3780.1326.134
calculateXcmsSet1.9630.7672.945
combineParams0.0190.0040.024
createModel2.3460.7520.106
decode0.0000.0000.001
findIsotopes.CAMERA2.1600.7482.830
findIsotopes.IPO3.1750.8333.921
getBbdParameter0.0020.0000.003
getCcdParameter0.0060.0000.006
getDefaultRetCorCenterSample0.0010.0000.000
getDefaultRetGroupStartingParams0.0010.0000.000
getDefaultXcmsSetStartingParams000
getNormalizedResponse000
getRGTVValues000
optimizeRetGroup000
optimizeXcmsSet000
toMatrix0.0020.0000.001
typeCastParams0.0000.0000.001
writeParamsTable0.0040.0000.003
writeRScript0.0020.0000.001