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IPO.Rcheck/tests_i386/runTests.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)
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> library("msdata")
>
> BiocGenerics:::testPackage("IPO")
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, sd, var, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, basename, cbind, colnames, dirname, do.call,
duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin,
pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table,
tapply, union, unique, unsplit, which, 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:base':
expand.grid
Attaching package: 'ProtGenerics'
The following object is masked from 'package:stats':
smooth
This is MSnbase version 2.12.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: 'MSnbase'
The following object is masked from 'package:base':
trimws
This is xcms version 3.8.2
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
Loading required package: xcms
Loading required package: Biobase
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, sd, var, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, basename, cbind, colnames, dirname, do.call,
duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin,
pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table,
tapply, union, unique, unsplit, which, 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: 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:base':
expand.grid
Loading required package: ProtGenerics
Attaching package: 'ProtGenerics'
The following object is masked from 'package:stats':
smooth
This is MSnbase version 2.12.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: 'MSnbase'
The following object is masked from 'package:base':
trimws
This is xcms version 3.8.2
Attaching package: 'xcms'
The following object is masked from 'package:stats':
sigma
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 211 regions of interest ... OK: 196 found.
Loading required package: xcms
Loading required package: Biobase
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, sd, var, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, basename, cbind, colnames, dirname, do.call,
duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin,
pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table,
tapply, union, unique, unsplit, which, 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: 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:base':
expand.grid
Loading required package: ProtGenerics
Attaching package: 'ProtGenerics'
The following object is masked from 'package:stats':
smooth
This is MSnbase version 2.12.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: 'MSnbase'
The following object is masked from 'package:base':
trimws
This is xcms version 3.8.2
Attaching package: 'xcms'
The following object is masked from 'package:stats':
sigma
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 217 regions of interest ... OK: 194 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... OK
starting new DoE with:
gapExtend: c(2.04, 2.76)
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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 95119 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 40766 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
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
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
no increase stopping
RUNIT TEST PROTOCOL -- Wed Apr 15 04:17:35 2020
***********************************************
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 43 warnings (use warnings() to see them)
>
> proc.time()
user system elapsed
314.71 13.45 344.60
|
IPO.Rcheck/tests_x64/runTests.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("msdata")
>
> BiocGenerics:::testPackage("IPO")
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, sd, var, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, basename, cbind, colnames, dirname, do.call,
duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin,
pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table,
tapply, union, unique, unsplit, which, 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:base':
expand.grid
Attaching package: 'ProtGenerics'
The following object is masked from 'package:stats':
smooth
This is MSnbase version 2.12.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: 'MSnbase'
The following object is masked from 'package:base':
trimws
This is xcms version 3.8.2
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
Loading required package: xcms
Loading required package: Biobase
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, sd, var, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, basename, cbind, colnames, dirname, do.call,
duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin,
pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table,
tapply, union, unique, unsplit, which, 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: 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:base':
expand.grid
Loading required package: ProtGenerics
Attaching package: 'ProtGenerics'
The following object is masked from 'package:stats':
smooth
This is MSnbase version 2.12.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: 'MSnbase'
The following object is masked from 'package:base':
trimws
This is xcms version 3.8.2
Attaching package: 'xcms'
The following object is masked from 'package:stats':
sigma
Detecting mass traces at 30 ppm ... OK
Detecting chromatographic peaks in 217 regions of interest ... OK: 194 found.
Loading required package: xcms
Loading required package: Biobase
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, sd, var, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, basename, cbind, colnames, dirname, do.call,
duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
lapply, mapply, match, mget, order, paste, pmax, pmax.int, pmin,
pmin.int, rank, rbind, rownames, sapply, setdiff, sort, table,
tapply, union, unique, unsplit, which, 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: 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:base':
expand.grid
Loading required package: ProtGenerics
Attaching package: 'ProtGenerics'
The following object is masked from 'package:stats':
smooth
This is MSnbase version 2.12.0
Visit https://lgatto.github.io/MSnbase/ to get started.
Attaching package: 'MSnbase'
The following object is masked from 'package:base':
trimws
This is xcms version 3.8.2
Attaching package: 'xcms'
The following object is masked from 'package:stats':
sigma
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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 54877 mz slices ... 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
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 95119 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 179 peak groups.
Processing 40766 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 95119 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 95119 mz slices ... OK
Processing 40766 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 40766 mz slices ... OK
Processing 57072 mz slices ... OK
Performing retention time correction using 183 peak groups.
Processing 57072 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
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
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 158530 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 49200 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 181 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 158530 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 158530 mz slices ... OK
Processing 49200 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 49200 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
Processing 75094 mz slices ... OK
Performing retention time correction using 185 peak groups.
Processing 75094 mz slices ... OK
no increase stopping
RUNIT TEST PROTOCOL -- Wed Apr 15 04:23:36 2020
***********************************************
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 43 warnings (use warnings() to see them)
>
> proc.time()
user system elapsed
333.98 10.70 359.96
|
