annotate test-data/2DNMR_Annotation_log.txt @ 2:dff7bde22102 draft

"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit b3abcb650e9b38458aa0ac5f7d838811d982ff65"

	PACKAGE INFO
R version 3.4.3 (2017-11-30)
Platform: x86_64-pc-linux-gnu (64-bit)
Running under: Ubuntu 14.04.5 LTS

Matrix products: default
BLAS: /usr/lib/libblas/libblas.so.3.0
LAPACK: /usr/lib/lapack/liblapack.so.3.0

locale:
 [1] LC_CTYPE=en_US.UTF-8       LC_NUMERIC=C              
 [3] LC_TIME=en_US.UTF-8        LC_COLLATE=en_US.UTF-8    
 [5] LC_MONETARY=en_US.UTF-8    LC_MESSAGES=en_US.UTF-8   
 [7] LC_PAPER=en_US.UTF-8       LC_NAME=C                 
 [9] LC_ADDRESS=C               LC_TELEPHONE=C            
[11] LC_MEASUREMENT=en_US.UTF-8 LC_IDENTIFICATION=C       

attached base packages:
[1] stats     graphics  grDevices utils     datasets  base     

other attached packages:
[1] tidyr_0.7.2    stringr_1.2.0  openxlsx_4.1.3 ggplot2_2.2.1  dplyr_0.7.4   
[6] batch_1.1-4   

loaded via a namespace (and not attached):
 [1] Rcpp_0.12.14     bindr_0.1        magrittr_1.5     munsell_0.4.3   
 [5] colorspace_1.3-2 R6_2.2.2         rlang_0.4.2      plyr_1.8.4      
 [9] tools_3.4.3      grid_3.4.3       gtable_0.2.0     cli_1.1.0       
[13] lazyeval_0.2.1   assertthat_0.2.0 tibble_1.3.4     crayon_1.3.4    
[17] bindrcpp_0.2     zip_1.0.0        purrr_0.3.3      glue_1.2.0      
[21] stringi_1.1.6    compiler_3.4.3   methods_3.4.3    scales_0.5.0    
[25] pkgconfig_2.0.1 
$xlsfile
[1] "/home/vagrant/galaxy/database/datasets/001/dataset_1825.dat"

$cosy_2dsequences
[1] "no"

$jres_2dsequences
[1] "yes"

$hmbc_2dsequences
[1] "no"

$hsqc_2dsequences
[1] "yes"

$tocsy_2dsequences
[1] "no"

$inHouse_DB_choices.choice
[1] "no"

$tolppm1
[1] 0.01

$tolppm2
[1] 0.5

$tolppmJRES
[1] 0.002

$threshold
[1] 0.3

$unicity
[1] "no"

$logOut
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2767.dat"

$annotationCOSY
[1] "None"

$ppmCommunCOSY
[1] "None"

$annotationJRES
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2768.dat"

$ppmCommunJRES
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2769.dat"

$annotationHMBC
[1] "None"

$ppmCommunHMBC
[1] "None"

$annotationHSQC
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2770.dat"

$ppmCommunHSQC
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2771.dat"

$annotationTOCSY
[1] "None"

$ppmCommunTOCSY
[1] "None"

$annotationCombination
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2772.dat"

$AnnotationGraph
[1] "/home/vagrant/galaxy/database/datasets/002/dataset_2773.dat"

null device 
          1 
Time difference of 1.566586 mins

End of '2D NMR annotation' Galaxy module call: 2019-12-23 10:55:29