Mercurial > repos > tomnl > cameradims
changeset 6:2cb6fbcfdad5 draft
planemo upload for repository https://github.com/computational-metabolomics/dma-tools-galaxy commit fe424320c0b41d5eb18ed36892750ee9ae41bc0b-dirty
author | tomnl |
---|---|
date | Fri, 04 May 2018 06:31:56 -0400 |
parents | c8db1946f37d |
children | 15aa33ca655e |
files | test-data/XcaliburAutoInput.tsv test-data/scores.tsv |
diffstat | 2 files changed, 134 insertions(+), 133 deletions(-) [+] |
line wrap: on
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--- a/test-data/XcaliburAutoInput.tsv Thu May 03 06:59:15 2018 -0400 +++ b/test-data/XcaliburAutoInput.tsv Fri May 04 06:31:56 2018 -0400 @@ -1,1 +1,2 @@ -C:\Documents and Settings\XPMUser\Desktop\XcaliburAuto\templates\DMA_Pos_MS_MSMS_MSn_Final_v3.meth C:\Documents and Settings\XPMUser\Desktop\XcaliburAuto\targets\target.tsv 14.4 10.4 C:\Documents and Settings\XPMUser\Desktop\XcaliburAuto\methods\dataset_1n.meth \ No newline at end of file +meth_template target_ex end_time_min hcd_total_time_min method_ex +'C:\Documents and Settings\XPMUser\Desktop\XcaliburAuto\templates\Pos_MSMS_MSn.meth' 'C:\Documents and Settings\XPMUser\Desktop\XcaliburAuto\targets\camera_annotated_peaklist\camera_annotated_peaklist.tsv' 14.4 10.4 'C:\Documents and Settings\XPMUser\Desktop\XcaliburAuto\methods\camera_annotated_peaklist_MSn.meth'
--- a/test-data/scores.tsv Thu May 03 06:59:15 2018 -0400 +++ b/test-data/scores.tsv Fri May 04 06:31:56 2018 -0400 @@ -1,133 +1,133 @@ peakID mz intensity isotopes adduct groupid bestAdductScore clustn medianPurity intp addp clustnp pp intensityw adductw clustnw purityw totalS excluded excludedFinal -93 227.11393617300001 1703845.4386 [6][M]+ [M+H]+ 226.106431527 19 1.0 9.0 0.89213651041429398 21.29266034202859 100.0 100.0 89.213651041429401 6.3877981026085768 30.0 20.0 17.842730208285882 74.230528310894471 0 0 -106 258.11005415 1115782.48355 [8][M]+ [M+H]+ 257.102812544 62 1.0 7.0 1.0 13.44486184592823 100.0 75.0 100.0 4.0334585537784688 30.0 15.0 20.0 69.033458553778473 0 0 -30 118.086249301 2757662.51425 [2][M]+ [M+H]+ 117.079749819 26 1.0 4.0 1.0 35.35602548079639 100.0 37.5 100.0 10.606807644238916 30.0 7.5 20.0 68.106807644238913 0 0 -41 138.05500284799999 1378587.4254399999 [3][M]+ [M+H]+ 137.046008617 32 1.0 6.0 0.939777143694279 16.952037752896771 100.0 62.5 93.9777143694279 5.0856113258690314 30.0 12.5 18.79554287388558 66.381154199754604 0 0 -59 162.112529688 2485050.3179799998 [4][M]+ [M+H]+ 161.105236728 40 1.0 3.0 1.0 31.717970123739558 100.0 25.0 100.0 9.5153910371218675 30.0 5.0 20.0 64.515391037121873 0 0 -66 175.11901614499999 7601661.3377200002 [5][M]+ 46 8.0 2.0 1.0 100.0 30.0 12.5 100.0 30.0 9.0 2.5 20.0 61.5 0 0 -7 84.080782051499995 140127.58283100001 [M+H]+ 83.0757855264 4 1.0 7.0 0.55012909895163398 0.4245840052257841 100.0 75.0 55.012909895163396 0.12737520156773521 30.0 15.0 11.00258197903268 56.129957180600421 0 0 -85 213.07488130300001 338210.63692399999 [M+H]+ 212.067595248 53 1.0 2.0 1.0 3.0680354939900081 100.0 12.5 100.0 0.92041064819700236 30.0 2.5 20.0 53.420410648197006 0 0 -98 238.04512725000001 137101.65568699999 [M+NH4]+ 220.011292005 [M+H]+ 237.037818099 63 1.0 2.0 1.0 0.38420250136456313 100.0 12.5 100.0 0.11526075040936894 30.0 2.5 20.0 52.615260750409369 0 0 -88 217.179795222 108312.020173 [M+H]+ 216.175933806 55 1.0 7.0 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