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ropls 1.14.1 Etienne A. Thevenot
Snapshot Date: 2019-04-15 17:01:12 -0400 (Mon, 15 Apr 2019) |
URL: https://git.bioconductor.org/packages/ropls |
Branch: RELEASE_3_8 |
Last Commit: 8adbd25 |
Last Changed Date: 2019-01-04 13:06:57 -0400 (Fri, 04 Jan 2019) |
| malbec1 | Linux (Ubuntu 16.04.6 LTS) / x86_64 | OK | OK | [ OK ] | | |
merida1 | OS X 10.11.6 El Capitan / x86_64 | OK | OK | OK | OK | |
R version 3.5.3 (2019-03-11) -- "Great Truth"
Copyright (C) 2019 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (64-bit)
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> BiocGenerics:::testPackage("ropls")
OPLS-DA
10 samples x 8 variables and 1 response
standard scaling of predictors and response(s)
R2X(cum) R2Y(cum) Q2(cum) RMSEE RMSEP pre ort
Total 0.699 0.976 0.94 0.0928 0.244 1 1
PLS-DA
10 samples x 8 variables and 1 response
standard scaling of predictors and response(s)
R2X(cum) R2Y(cum) Q2(cum) RMSEE RMSEP pre ort
Total 0.753 0.99 0.937 0.0636 0.0537 3 0
dev.new(): using pdf(file="Rplots1.pdf")
PLS-DA
47 samples x 109 variables and 1 response
standard scaling of predictors and response(s)
R2X(cum) R2Y(cum) Q2(cum) RMSEE pre ort pR2Y pQ2
Total 0.211 0.47 0.0394 0.338 2 0 0.1 0.05
dev.new(): using pdf(file="Rplots2.pdf")
PLS-DA
47 samples x 109 variables and 1 response
pareto scaling of predictors and standard scaling of response(s)
R2X(cum) R2Y(cum) Q2(cum) RMSEE pre ort pR2Y pQ2
Total 0.204 0.442 0.0531 0.353 2 0 0.15 0.05
dev.new(): using pdf(file="Rplots3.pdf")
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, colMeans, colSums, colnames,
dirname, do.call, duplicated, eval, evalq, get, grep, grepl,
intersect, is.unsorted, lapply, lengths, mapply, match, mget,
order, paste, pmax, pmax.int, pmin, pmin.int, rank, rbind,
rowMeans, rowSums, 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")'.
PLS
183 samples x 109 variables and 2 responses
standard scaling of predictors and response(s)
R2X(cum) R2Y(cum) Q2(cum) RMSEE pre ort
Total 0.293 0.412 0.254 5.72 3 0
dev.new(): using pdf(file="Rplots4.pdf")
dev.new(): using pdf(file="Rplots5.pdf")
dev.new(): using pdf(file="Rplots6.pdf")
dev.new(): using pdf(file="Rplots7.pdf")
dev.new(): using pdf(file="Rplots8.pdf")
dev.new(): using pdf(file="Rplots9.pdf")
dev.new(): using pdf(file="Rplots10.pdf")
dev.new(): using pdf(file="Rplots11.pdf")
dev.new(): using pdf(file="Rplots12.pdf")
dev.new(): using pdf(file="Rplots13.pdf")
dev.new(): using pdf(file="Rplots14.pdf")
dev.new(): using pdf(file="Rplots15.pdf")
dev.new(): using pdf(file="Rplots16.pdf")
dev.new(): using pdf(file="Rplots17.pdf")
dev.new(): using pdf(file="Rplots18.pdf")
1) Data set:
183 samples x 109 variables
0 (0%) NAs
0 excluded variables (near zero variance)
standard x scaling
Summary of the 3 increasing variance spaced raw variables:
Citric acid Ortho-Hydroxyphenylacetic acid Acetaminophen glucuronide
Min. :3.978 Min. :3.516 Min. :-0.30001
1st Qu.:4.240 1st Qu.:4.260 1st Qu.: 0.04682
Median :4.354 Median :4.465 Median : 1.23248
Mean :4.352 Mean :4.438 Mean : 1.38781
3rd Qu.:4.450 3rd Qu.:4.656 3rd Qu.: 2.09594
Max. :4.804 Max. :5.428 Max. : 5.56739
2) Model: PCA
Correlations between variables and first 2 components:
p1 p2 cor_p1 cor_p2
Salicylic acid -0.0069 NA -0.028 NA
N-Acetylleucine 0.0015 NA 0.006 NA
Chenodeoxycholic acid isomer 0.0075 NA 0.030 NA
Pyridylacetylglycine 0.1500 NA 0.590 NA
Dimethylguanosine 0.1700 NA 0.670 NA
4-Acetamidobutanoic acid isomer 2 0.1800 NA 0.730 NA
FMNH2 NA -0.17 NA -0.56
Testosterone glucuronide NA -0.16 NA -0.54
6-(carboxymethoxy)-hexanoic acid NA -0.16 NA -0.52
Pyrocatechol sulfate NA 0.22 NA 0.72
Fumaric acid NA 0.22 NA 0.74
Pentose NA 0.24 NA 0.79
R2X R2X(cum) Iter.
p1 0.149 0.149 0
p2 0.103 0.252 0
1) Data set:
183 samples x 109 variables and 1 response
0 (0%) NAs
0 excluded variables (near zero variance)
standard x and y scaling
Summary of the 3 increasing variance spaced raw variables:
Citric acid Ortho-Hydroxyphenylacetic acid Acetaminophen glucuronide
Min. :3.978 Min. :3.516 Min. :-0.30001
1st Qu.:4.240 1st Qu.:4.260 1st Qu.: 0.04682
Median :4.354 Median :4.465 Median : 1.23248
Mean :4.352 Mean :4.438 Mean : 1.38781
3rd Qu.:4.450 3rd Qu.:4.656 3rd Qu.: 2.09594
Max. :4.804 Max. :5.428 Max. : 5.56739
2) Model: PLS-DA
Correlations between variables and first 2 components:
p1 p2 cor_p1 cor_p2
Testosterone glucuronide -0.180 NA -0.50 NA
6-(carboxymethoxy)-hexanoic acid -0.097 NA -0.27 NA
Asp-Leu/Ile isomer 1 -0.080 NA -0.22 NA
Glucuronic acid and/or isomers 0.220 NA 0.62 NA
Phe-Tyr-Asp (and isomers) 0.220 NA 0.63 NA
alpha-N-Phenylacetyl-glutamine 0.220 NA 0.64 NA
Porphobilinogen NA -0.200 NA -0.530
1-Methyluric acid NA -0.200 NA -0.530
p-Hydroxymandelic acid NA -0.200 NA -0.520
Malic acid NA 0.030 NA 0.078
p-Anisic acid NA 0.066 NA 0.180
Acetaminophen glucuronide NA 0.093 NA 0.240
R2X R2X(cum) R2Y R2Y(cum) Q2 Q2(cum) Signif. Iter.
p1 0.0984 0.0984 0.479 0.479 0.401 0.401 R1 1
p2 0.0861 0.1850 0.189 0.668 0.256 0.555 R1 1
Country Gr_Coffe ... Yoghurt Crisp_Brea
factor numeric ... numeric numeric
nRow nCol size NAs
16 21 0 Mb 3
Country Gr_Coffe ... Yoghurt Crisp_Brea
1 Ger 90 ... 30 26
2 Ita 82 ... 5 18
... ... ... ... ... ...
15 Spa 70 ... 16 13
16 Ire 30 ... 3 9
Country Gr_Coffe Inst_Coffe ... Olive_Oil Yoghurt Crisp_Brea
factor numeric numeric ... numeric numeric numeric
nRow nCol size NAs
16 21 0 Mb 3
Country Gr_Coffe Inst_Coffe ... Olive_Oil Yoghurt Crisp_Brea
1 Ger 90 49 ... 74 30 26
2 Ita 82 10 ... 94 5 18
3 Fra 88 42 ... 36 57 3
... ... ... ... ... ... ... ...
14 Fin 98 12 ... 17 <NA> 64
15 Spa 70 40 ... 91 16 13
16 Ire 30 52 ... 31 3 9
dim class mode typeof size NAs
1 x 1'000 matrix logical logical 0 Mb 0
1 2 ... 999 1000
1 TRUE TRUE ... TRUE TRUE
dim class mode typeof size NAs
10 x 10 matrix character character 0 Mb 0
1 2 ... 9 10
1 a a ... a a
2 a a ... a a
... ... ... ... ... ...
9 a a ... a a
10 a a ... a a
dim class mode typeof size NAs min mean median max
183 x 109 matrix numeric double 0.2 Mb 0 -0.3 4.2 4.3 6
(2-methoxyethoxy)propanoic acid isomer (gamma)Glu-Leu/Ile ...
HU_011 3.019766011 3.888479324 ...
HU_014 3.81433889 4.277148905 ...
... ... ... ...
HU_208 3.748127215 4.523763202 ...
HU_209 4.208859398 4.675880567 ...
Valerylglycine isomer 2 Xanthosine
HU_011 3.889078716 4.075879575
HU_014 4.181765852 4.195761901
... ... ...
HU_208 4.634338821 4.487781609
HU_209 4.47194762 4.222953354
age bmi gender
numeric numeric factor
nRow nCol size NAs
183 3 0 Mb 0
age bmi gender
HU_011 29 19.75 M
HU_014 59 22.64 F
... ... ... ...
HU_208 27 18.61 F
HU_209 17.5 21.48 F
RUNIT TEST PROTOCOL -- Tue Apr 16 02:45:17 2019
***********************************************
Number of test functions: 21
Number of errors: 0
Number of failures: 0
1 Test Suite :
ropls RUnit Tests - 21 test functions, 0 errors, 0 failures
Number of test functions: 21
Number of errors: 0
Number of failures: 0
Warning messages:
1: 'permI' set to 0 because train/test partition is selected
2: 'permI' set to 0 because train/test partition is selected
3: Character 'parAsColFcVn' set to a factor
>
> proc.time()
user system elapsed
9.896 0.108 10.038