Mercurial > repos > ethevenot > batchcorrection
changeset 2:57edfd3943ab draft
planemo upload for repository https://github.com/workflow4metabolomics/batch_correction.git commit a619f606894efd016387a0b6f6bf0d5addc38bc9-dirty
author | ethevenot |
---|---|
date | Mon, 01 May 2017 08:06:08 -0400 |
parents | 26d058657f66 |
children | 2e3a23dd6c24 |
files | README.md batch_correction.xml determine_bc.xml runit/output/dataMatrix.tsv runit/output/graph_output.pdf runit/output/out_graph.pdf runit/output/preNormSummary.txt runit/output/rdata_output.rdata runit/output/variableMetadata.tsv static/images/batch_correction.png static/images/determine_batch_correction.png |
diffstat | 11 files changed, 52 insertions(+), 392 deletions(-) [+] |
line wrap: on
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--- a/README.md Sun Apr 09 15:27:17 2017 -0400 +++ b/README.md Mon May 01 08:06:08 2017 -0400 @@ -7,8 +7,8 @@ ### Description -**Version:** 2.1.0 -**Date:** 2017-03-20 +**Version:** 2.1.2 +**Date:** 2017-04-30 **Author:** Jean-François Martin (INRA, AXIOM), Mélanie Pétéra (INRA, PFEM), Marion Landi (INRA, PFEM), Franck Giacomoni (INRA, PFEM), and Etienne A. Thévenot (CEA, LIST) **Email:** [jean-francois.martin(at)toulouse.inra.fr](mailto:jean-francois.martin@toulouse.inra.frr), [melanie.petera(at)clermont.inra.fr](mailto:melanie.petera@clermont.inra.fr), [etienne.thevenot(at)cea.fr](mailto:etienne.thevenot@cea.fr) **Citation:** @@ -76,6 +76,12 @@ ### News +##### CHANGES IN VERSION 2.1.2 + +INTERNAL MODIFICATIONS + + * Minor modifications in config file + ##### CHANGES IN VERSION 2.1.0 INTERNAL MODIFICATIONS
--- a/batch_correction.xml Sun Apr 09 15:27:17 2017 -0400 +++ b/batch_correction.xml Mon May 01 08:06:08 2017 -0400 @@ -1,4 +1,4 @@ -<tool id="Batch_correction" name="Batch_correction" version="2.1.0"> +<tool id="Batch_correction" name="Batch_correction" version="2.1.2"> <description>Corrects intensities for signal drift and batch-effects</description> <requirements> @@ -292,7 +292,7 @@ Working example --------------- -.. class:: warningmark +.. class:: infomark Refer to the corresponding "W4M HowTo" page: | `MS data processing - Filters and normalisation <http://workflow4metabolomics.org/sites/workflow4metabolomics.org/files/files/w4e-2016-data_processing.pdf>`_ @@ -309,12 +309,19 @@ NEWS ---- +CHANGES IN VERSION 2.1.2 +======================== + +INTERNAL MODIFICATIONS + +Minor modifications in config file + CHANGES IN VERSION 2.1.0 ======================== INTERNAL MODIFICATIONS -For PCA figure display only ("all_loess_" options): missing values are set to the minimum value before PCA computation is performed (with svd) +For PCA figure display only (**all_loess** options): missing values are set to the minimum value before PCA computation is performed (with svd) Additional running and installation tests added with planemo, conda, and travis @@ -345,391 +352,5 @@ <citation type="doi">10.1021/acs.jproteome.5b00354</citation> </citations> -<!-- -example 1: - -Input files -=========== - -| **To generate the "dataMatrix", "sampleMetadata" and "variableMetadata" files:** -| **1) copy/paste the values below in three distinct .txt files** -| **2) use the "Get Data" / "Upload File" in the "Tools" (left) panel from the Galaxy page by choosing:** -| **Convert spaces to tabs: 'Yes'** -| - -**dataMatrix file**:: - - dataMatrix QC1_001 HU_017 HU_018 HU_020 HU_021 HU_027 HU_028 HU_032 HU_034 QC1_002 HU_037 HU_041 HU_043 HU_044 HU_047 HU_048 QC1_003 HU_049 HU_050 HU_051 HU_052 HU_055 HU_060 HU_061 QC1_004 HU_064 HU_065 HU_066 HU_068 HU_072 HU_077 HU_078 QC1_005 HU_079 HU_083 HU_086 HU_088 HU_089 HU_090 HU_091 HU_093 HU_094 QC1_006 HU_099 HU_100 HU_101 HU_105 HU_107 HU_108 HU_109 HU_110 QC1_007 HU_116 HU_118 HU_123 HU_125 HU_126 HU_127 QC1_008 HU_130 HU_131 HU_132 HU_133 HU_134 HU_138 QC1_009 HU_144 HU_148 HU_149 HU_150 QC1_010 HU_152 HU_154 HU_156 HU_157 HU_158 HU_163 HU_170 HU_171 QC1_011 HU_172 HU_173 HU_174 HU_175 HU_179 HU_180 HU_181 HU_182 QC1_012 HU_184 HU_185 HU_186 HU_189 HU_192 HU_196 QC1_013 HU_200 HU_201 HU_202 HU_204 HU_207 HU_208 HU_209 QC1_014 QC1_015 HU_022 HU_076 HU_166 HU_114 HU_190 HU_139 HU_096 HU_058 HU_031 QC1_016 HU_039 HU_087 HU_143 HU_162 HU_102 HU_188 HU_095 HU_062 QC1_017 HU_063 HU_011 HU_074 HU_122 HU_142 HU_030 HU_187 HU_167 HU_113 QC1_018 HU_081 HU_014 HU_206 HU_119 HU_033 HU_067 HU_140 HU_164 HU_193 HU_112 QC1_019 HU_097 HU_056 HU_195 HU_135 HU_159 HU_070 HU_038 HU_026 QC1_020 HU_098 HU_115 HU_137 HU_019 HU_073 HU_168 HU_191 HU_040 HU_046 QC1_021 HU_103 HU_015 HU_053 HU_121 HU_183 HU_199 HU_042 HU_075 QC1_022 HU_203 HU_024 HU_082 HU_169 HU_129 HU_057 HU_035 HU_194 HU_145 QC1_023 HU_177 HU_025 HU_080 HU_117 HU_136 HU_197 HU_036 HU_054 HU_085 QC1_024 HU_160 HU_092 HU_023 HU_124 HU_147 HU_205 HU_084 HU_120 HU_198 QC1_025 HU_045 HU_029 HU_069 HU_155 HU_106 HU_146 QC1_026 - 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-**sampleMetadata file**:: - - sampleMetadata sampleType injectionOrder batch - QC1_001 pool 1 ne1 - HU_017 sample 2 ne1 - HU_018 sample 3 ne1 - HU_020 sample 4 ne1 - HU_021 sample 5 ne1 - HU_027 sample 6 ne1 - HU_028 sample 7 ne1 - HU_032 sample 8 ne1 - HU_034 sample 9 ne1 - QC1_002 pool 10 ne1 - HU_037 sample 11 ne1 - HU_041 sample 12 ne1 - HU_043 sample 13 ne1 - HU_044 sample 14 ne1 - HU_047 sample 15 ne1 - HU_048 sample 16 ne1 - QC1_003 pool 17 ne1 - HU_049 sample 18 ne1 - HU_050 sample 19 ne1 - HU_051 sample 20 ne1 - HU_052 sample 21 ne1 - HU_055 sample 22 ne1 - HU_060 sample 23 ne1 - HU_061 sample 24 ne1 - QC1_004 pool 25 ne1 - HU_064 sample 26 ne1 - HU_065 sample 27 ne1 - HU_066 sample 28 ne1 - HU_068 sample 29 ne1 - HU_072 sample 30 ne1 - HU_077 sample 31 ne1 - HU_078 sample 32 ne1 - QC1_005 pool 33 ne1 - HU_079 sample 34 ne1 - HU_083 sample 35 ne1 - HU_086 sample 36 ne1 - HU_088 sample 37 ne1 - HU_089 sample 38 ne1 - HU_090 sample 39 ne1 - HU_091 sample 40 ne1 - HU_093 sample 41 ne1 - HU_094 sample 42 ne1 - QC1_006 pool 43 ne1 - HU_099 sample 44 ne1 - HU_100 sample 45 ne1 - HU_101 sample 46 ne1 - HU_105 sample 47 ne1 - HU_107 sample 48 ne1 - HU_108 sample 49 ne1 - HU_109 sample 50 ne1 - HU_110 sample 51 ne1 - QC1_007 pool 52 ne1 - HU_116 sample 53 ne1 - HU_118 sample 54 ne1 - HU_123 sample 55 ne1 - HU_125 sample 56 ne1 - HU_126 sample 57 ne1 - HU_127 sample 58 ne1 - QC1_008 pool 59 ne1 - HU_130 sample 60 ne1 - HU_131 sample 61 ne1 - HU_132 sample 62 ne1 - HU_133 sample 63 ne1 - HU_134 sample 64 ne1 - HU_138 sample 65 ne1 - QC1_009 pool 66 ne1 - HU_144 sample 67 ne1 - HU_148 sample 68 ne1 - HU_149 sample 69 ne1 - HU_150 sample 70 ne1 - QC1_010 pool 71 ne1 - HU_152 sample 72 ne1 - HU_154 sample 73 ne1 - HU_156 sample 74 ne1 - HU_157 sample 75 ne1 - HU_158 sample 76 ne1 - HU_163 sample 77 ne1 - HU_170 sample 78 ne1 - HU_171 sample 79 ne1 - QC1_011 pool 80 ne1 - HU_172 sample 81 ne1 - HU_173 sample 82 ne1 - HU_174 sample 83 ne1 - HU_175 sample 84 ne1 - HU_179 sample 85 ne1 - HU_180 sample 86 ne1 - HU_181 sample 87 ne1 - HU_182 sample 88 ne1 - QC1_012 pool 89 ne1 - HU_184 sample 90 ne1 - HU_185 sample 91 ne1 - HU_186 sample 92 ne1 - HU_189 sample 93 ne1 - HU_192 sample 94 ne1 - HU_196 sample 95 ne1 - QC1_013 pool 96 ne1 - HU_200 sample 97 ne1 - HU_201 sample 98 ne1 - HU_202 sample 99 ne1 - HU_204 sample 100 ne1 - HU_207 sample 101 ne1 - HU_208 sample 102 ne1 - HU_209 sample 103 ne1 - QC1_014 pool 104 ne1 - QC1_015 pool 105 ne2 - HU_022 sample 106 ne2 - HU_076 sample 107 ne2 - HU_166 sample 108 ne2 - HU_114 sample 109 ne2 - HU_190 sample 110 ne2 - HU_139 sample 111 ne2 - HU_096 sample 112 ne2 - HU_058 sample 113 ne2 - HU_031 sample 114 ne2 - QC1_016 pool 115 ne2 - HU_039 sample 116 ne2 - HU_087 sample 117 ne2 - HU_143 sample 118 ne2 - HU_162 sample 119 ne2 - HU_102 sample 120 ne2 - HU_188 sample 121 ne2 - HU_095 sample 122 ne2 - HU_062 sample 123 ne2 - QC1_017 pool 124 ne2 - HU_063 sample 125 ne2 - HU_011 sample 126 ne2 - HU_074 sample 127 ne2 - HU_122 sample 128 ne2 - HU_142 sample 129 ne2 - HU_030 sample 130 ne2 - HU_187 sample 131 ne2 - HU_167 sample 132 ne2 - HU_113 sample 133 ne2 - QC1_018 pool 134 ne2 - HU_081 sample 135 ne2 - HU_014 sample 136 ne2 - HU_206 sample 137 ne2 - HU_119 sample 138 ne2 - HU_033 sample 139 ne2 - HU_067 sample 140 ne2 - HU_140 sample 141 ne2 - HU_164 sample 142 ne2 - HU_193 sample 143 ne2 - HU_112 sample 144 ne2 - QC1_019 pool 145 ne2 - HU_097 sample 146 ne2 - HU_056 sample 147 ne2 - HU_195 sample 148 ne2 - HU_135 sample 149 ne2 - HU_159 sample 150 ne2 - HU_070 sample 151 ne2 - HU_038 sample 152 ne2 - HU_026 sample 153 ne2 - QC1_020 pool 154 ne2 - HU_098 sample 155 ne2 - HU_115 sample 156 ne2 - HU_137 sample 157 ne2 - HU_019 sample 158 ne2 - HU_073 sample 159 ne2 - HU_168 sample 160 ne2 - HU_191 sample 161 ne2 - HU_040 sample 162 ne2 - HU_046 sample 163 ne2 - QC1_021 pool 164 ne2 - HU_103 sample 165 ne2 - HU_015 sample 166 ne2 - HU_053 sample 167 ne2 - HU_121 sample 168 ne2 - HU_183 sample 169 ne2 - HU_199 sample 170 ne2 - HU_042 sample 171 ne2 - HU_075 sample 172 ne2 - QC1_022 pool 173 ne2 - HU_203 sample 174 ne2 - HU_024 sample 175 ne2 - HU_082 sample 176 ne2 - HU_169 sample 177 ne2 - HU_129 sample 178 ne2 - HU_057 sample 179 ne2 - HU_035 sample 180 ne2 - HU_194 sample 181 ne2 - HU_145 sample 182 ne2 - QC1_023 pool 183 ne2 - HU_177 sample 184 ne2 - HU_025 sample 185 ne2 - HU_080 sample 186 ne2 - HU_117 sample 187 ne2 - HU_136 sample 188 ne2 - HU_197 sample 189 ne2 - HU_036 sample 190 ne2 - HU_054 sample 191 ne2 - HU_085 sample 192 ne2 - QC1_024 pool 193 ne2 - HU_160 sample 194 ne2 - HU_092 sample 195 ne2 - HU_023 sample 196 ne2 - HU_124 sample 197 ne2 - HU_147 sample 198 ne2 - HU_205 sample 199 ne2 - HU_084 sample 200 ne2 - HU_120 sample 201 ne2 - HU_198 sample 202 ne2 - QC1_025 pool 203 ne2 - HU_045 sample 204 ne2 - HU_029 sample 205 ne2 - HU_069 sample 206 ne2 - HU_155 sample 207 ne2 - HU_106 sample 208 ne2 - HU_146 sample 209 ne2 - QC1_026 pool 210 ne2 - -**variableMetadata file**:: - - variableMetadata variable number - met_001 met 1 - met_002 met 2 - met_003 met 3 - met_004 met 4 - met_005 met 5 - met_006 met 6 - met_007 met 7 - met_008 met 8 - met_009 met 9 - met_010 met 10 - -Parameters -=========== - -| **Type of regression model**: 'all_loess_pool' -| **span**: 1 'default) - -Figure output -============= - -| You should obtain with this very simplified dataset the following figure: -| - -.. image:: batchCorrection_workingExampleImage.png - :width: 600 - - - -example 2: - -Input files -=========== - -| **These two input files can be used in the purview "URL/Text:" of the tool "Get Data/Upload File",** -| **by checking the box "Convert spaces to tabs: YES"** - -Metadata_samples.txt - Model input Sample metadata file:: - - samples idLIMS serie factor01 factor02 batch injectionOrder sampleType - POOL1 POOL1 p p p 01_08_2011 1 p - X12588 12588 3 validation 2 01_08_2011 2 s - X17736 17736 3 Q1 1 01_08_2011 3 s - X15432 15432 3 validation 1 01_08_2011 4 s - X17159 17159 3 Q4 1 01_08_2011 5 s - X14325 14325 3 validation 2 01_08_2011 6 s - X17419 17419 3 Q4 1 01_08_2011 7 s - X16437 16437 3 Q4 1 01_08_2011 8 s - X16172 16172 3 Q4 2 01_08_2011 9 s - X16392 16392 3 Q4 2 01_08_2011 10 s - X13875 13875 3 validation 2 01_08_2011 11 s - POOL2 POOL2 p p p 01_08_2011 12 p - X13117 13117 3 Q4 2 01_08_2011 13 s - X13341 13341 3 Q1 2 01_08_2011 14 s - X16888 16888 3 Q4 1 01_08_2011 15 s - X17489 17489 3 Q4 2 01_08_2011 16 s - X12718 12718 3 Q1 2 01_08_2011 17 s - X16235 16235 3 Q4 2 01_08_2011 18 s - X16878 16878 3 Q1 1 01_08_2011 19 s - X12701 12701 3 validation 1 01_08_2011 20 s - X16220 16220 3 Q4 2 01_08_2011 21 s - X15635 15635 3 Q4 1 01_08_2011 22 s - - -Intensity_matrix.txt - Model input Matrix Ions file BEFORE IMPLEMENTATION:: - - samples POOL1 X12588 X17736 X15432 X17159 X14325 X17419 X16437 X16172 X16392 X13875 POOL2 X13117 X13341 X16888 X17489 X12718 X16235 X16878 X12701 X16220 X15635 - ion01 188.4140625 219.729126 122.5697632 123.5487671 805.8852539 183.4683838 37.33084106 151.8625488 97.12005615 91.24694824 69.87762451 195.4349365 112.4111938 136.7092285 159.9987793 172.1585693 0 117.5420532 133.6679688 80.05419922 160.0006104 760.0488281 - ion02 82.02575684 87.11358643 79.82391357 80.33862305 83.08575439 94.27703857 76.02288818 77.04394531 76.97564697 84.17669678 81.04943848 86.44024658 84.11865234 83.71282959 77.75219727 79.15936279 75.98492432 78.2835083 78.98760986 73.98388672 72.20550537 82.16448975 - ion03 25.31900024 24.2960968 23.29342651 31.54063416 30.3830719 22.42404175 35.44485474 26.38783264 17.1401825 21.27339172 20.25959778 26.33859253 18.17146301 26.32852173 24.30648804 28.34313965 29.37016296 18.23519897 24.48402405 25.38140869 24.35777283 21.31071472 - ion04 65.87536621 62.68716431 46.60232544 62.77856445 29.53218079 47.59136963 90.13983154 28.35336304 58.74325562 31.39331055 23.32928467 30.39666748 41.43960571 21.27049255 88.1161499 29.36820984 24.30200195 25.00007629 45.60662842 103.293457 37.46994019 87.09295654 - ion05 0 103.728544 279.5808214 884.2333448 824.5072072 434.6439081 764.82768 799.0972595 398.4002569 382.5370891 74.55342827 0 636.6596277 514.3863309 741.690017 412.3166491 660.8996555 57.36593795 102.2085264 455.6403091 548.6145486 515.8412195 - ion06 2711.785156 3465.292969 2469.75 3435.259766 2482.3125 2593.654297 1407.915039 1291.253906 2241.734375 1444.189453 3363.683594 2578.642578 2633.181641 3397.763672 3706.855469 3647.212891 3548.410156 3714.640625 1889.213867 2262.707031 2107.417969 2763.21875 - ion07 164.9023438 192.40625 140.7609863 192.4053955 139.7540283 140.748291 84.60144043 86.1819458 150.762207 89.90411377 207.5949707 164.0512695 149.8706055 186.336792 214.6140137 202.5360107 214.6877441 195.4482422 117.4679565 127.2941895 142.78479 163.0666504 - - -Parameters -========== - -Factor analysis -> **batch** - -Level of details -> **no** - -Model used (linear or not) -> **Linear** - - -Output files -============ - -Norma_rdata_$detail.rdata:: - - binary data - Download, open with R send res - - -Norma_plots_$detail.pdf - -.. image:: Vdk_pdf1.png - :width: 800 - -.. image:: Vdk_pdf2.png - :width: 800 - - -Norma_result_for_simca.tabular:: - - samples idLIMS serie factor01 factor02 batch injectionOrder sampleType ion01 ion02 ion03 ion04 ion05 ion06 ion07 - POOL1 POOL1 p p p 01_08_2011 1 p 183.806309736177 78.555522674121 24.2565782732588 67.2059357441544 0 2756.58450391724 158.052416850832 - POOL2 POOL2 p p p 01_08_2011 12 p 190.655485025641 82.783250185879 25.2333869921957 31.0106280849366 0 2621.24237826457 157.236695576441 - X12588 12588 3 validation 2 01_08_2011 2 s 220.281338788057 87.500123119505 24.4029802274792 62.5632990312483 94.2986763636364 3459.67039593807 193.243760535699 - X12701 12701 3 validation 1 01_08_2011 20 s 80.2553876257053 74.3121648660553 25.4930666232626 103.089356639338 414.218462818182 2259.03570054876 127.848278698451 - X12718 12718 3 Q1 2 01_08_2011 17 s 0 76.3220813847312 29.4993682273574 24.2539829611226 600.817868636364 3542.65272205883 215.622242057156 - X13117 13117 3 Q4 2 01_08_2011 13 s 112.693700265425 84.4919000357226 18.251402938821 41.3577240621519 578.781479727273 2628.90920103769 150.522965863022 - X13341 13341 3 Q1 2 01_08_2011 14 s 137.052799630498 84.0842765863284 26.4443462044465 21.2284636032788 467.623937181818 3392.25066785752 187.147883253472 - X13875 13875 3 validation 2 01_08_2011 11 s 70.0532376321925 81.4090675909135 20.3487238346046 23.2831876997425 67.7758438818182 3358.22588611392 208.498595063134 - X14325 14325 3 validation 2 01_08_2011 6 s 183.929467815501 94.695360623753 22.5226896299416 47.497332543935 395.130825545454 2589.44599169574 141.360943533866 - X15432 15432 3 validation 1 01_08_2011 4 s 123.859263984884 80.6950981610103 31.6793877676942 62.6545185712173 803.848495272727 3429.68592298187 193.242902316211 - X15635 15635 3 Q4 1 01_08_2011 22 s 761.958946663093 82.5290665188414 21.4044648499099 86.9208671903241 468.946563181818 2758.73531975414 163.776450823485 - X16172 16172 3 Q4 2 01_08_2011 9 s 97.3641336556051 77.3172000270102 17.2155856179699 58.6271832180619 362.182051727273 2238.0970735015 151.418448347397 - X16220 16220 3 Q4 2 01_08_2011 21 s 160.402716323636 72.5258925581935 24.4649275827679 37.3959023125888 498.740498727273 2103.99860111142 143.406307055514 - X16235 16235 3 Q4 2 01_08_2011 18 s 117.83745429722 78.6308645435113 18.315419286157 24.950677956983 52.1508526818182 3708.61347563638 196.298993992243 - X16392 16392 3 Q4 2 01_08_2011 10 s 91.4762657301598 84.5502020280356 21.3669776585093 31.3312796509314 347.760990090909 1441.84619925857 90.295450550822 - X16437 16437 3 Q4 1 01_08_2011 8 s 152.244202534309 77.3858014174909 26.5039180350956 28.2973388561794 726.452054090909 1289.1587961513 86.5570806388865 - X16878 16878 3 Q1 1 01_08_2011 19 s 134.003896781277 79.3380903129169 24.5917342073347 45.5165130382572 92.9168421818182 1886.14854378149 117.979273835979 - X16888 16888 3 Q4 1 01_08_2011 15 s 160.400880621802 78.0971960028743 24.4134171806386 87.9420387946402 674.263651818182 3700.84095135577 215.548190721704 - X17159 17159 3 Q4 1 01_08_2011 5 s 807.910566388206 83.4544189550015 30.5167331579687 29.4738273480161 749.552006545455 2478.28485110605 140.362352983359 - X17419 17419 3 Q4 1 01_08_2011 7 s 37.4246591541122 76.3602136963513 35.6007838010462 89.9617217868595 695.297890909091 1405.63064191075 84.9696956072378 - X17489 17489 3 Q4 2 01_08_2011 16 s 172.59123002765 79.510605337691 28.4678268347873 29.3101803926911 374.833317363636 3641.2951457659 203.417614300817 - X17736 17736 3 Q1 1 01_08_2011 3 s 122.877799698849 80.1781048340628 23.3958989887532 46.5102426333419 254.164383090909 2465.74273425251 141.373694094272 - - -Norma_result.tabular:: - - POOL1 POOL2 X12588 X12701 X12718 X13117 X13341 X13875 X14325 X15432 X15635 X16172 X16220 X16235 X16392 X16437 X16878 X16888 X17159 X17419 X17489 X17736 - ion01 183.806309736177 190.655485025641 220.281338788057 80.2553876257053 0 112.693700265425 137.052799630498 70.0532376321925 183.929467815501 123.859263984884 761.958946663093 97.3641336556051 160.402716323636 117.83745429722 91.4762657301598 152.244202534309 134.003896781277 160.400880621802 807.910566388206 37.4246591541122 172.59123002765 122.877799698849 - ion02 78.555522674121 82.783250185879 87.500123119505 74.3121648660553 76.3220813847312 84.4919000357226 84.0842765863284 81.4090675909135 94.695360623753 80.6950981610103 82.5290665188414 77.3172000270102 72.5258925581935 78.6308645435113 84.5502020280356 77.3858014174909 79.3380903129169 78.0971960028743 83.4544189550015 76.3602136963513 79.510605337691 80.1781048340628 - ion03 24.2565782732588 25.2333869921957 24.4029802274792 25.4930666232626 29.4993682273574 18.251402938821 26.4443462044465 20.3487238346046 22.5226896299416 31.6793877676942 21.4044648499099 17.2155856179699 24.4649275827679 18.315419286157 21.3669776585093 26.5039180350956 24.5917342073347 24.4134171806386 30.5167331579687 35.6007838010462 28.4678268347873 23.3958989887532 - ion04 67.2059357441544 31.0106280849366 62.5632990312483 103.089356639338 24.2539829611226 41.3577240621519 21.2284636032788 23.2831876997425 47.497332543935 62.6545185712173 86.9208671903241 58.6271832180619 37.3959023125888 24.950677956983 31.3312796509314 28.2973388561794 45.5165130382572 87.9420387946402 29.4738273480161 89.9617217868595 29.3101803926911 46.5102426333419 - ion05 0 0 94.2986763636364 414.218462818182 600.817868636364 578.781479727273 467.623937181818 67.7758438818182 395.130825545454 803.848495272727 468.946563181818 362.182051727273 498.740498727273 52.1508526818182 347.760990090909 726.452054090909 92.9168421818182 674.263651818182 749.552006545455 695.297890909091 374.833317363636 254.164383090909 - ion06 2756.58450391724 2621.24237826457 3459.67039593807 2259.03570054876 3542.65272205883 2628.90920103769 3392.25066785752 3358.22588611392 2589.44599169574 3429.68592298187 2758.73531975414 2238.0970735015 2103.99860111142 3708.61347563638 1441.84619925857 1289.1587961513 1886.14854378149 3700.84095135577 2478.28485110605 1405.63064191075 3641.2951457659 2465.74273425251 - ion07 158.052416850832 157.236695576441 193.243760535699 127.848278698451 215.622242057156 150.522965863022 187.147883253472 208.498595063134 141.360943533866 193.242902316211 163.776450823485 151.418448347397 143.406307055514 196.298993992243 90.295450550822 86.5570806388865 117.979273835979 215.548190721704 140.362352983359 84.9696956072378 203.417614300817 141.373694094272 ---> </tool>
--- a/determine_bc.xml Sun Apr 09 15:27:17 2017 -0400 +++ b/determine_bc.xml Mon May 01 08:06:08 2017 -0400 @@ -1,4 +1,4 @@ -<tool id="Determine_BC" name="Determine_batch_correction" version="2.1.0"> +<tool id="Determine_BC" name="Determine_batch_correction" version="2.1.2"> <description>to choose between linear, lowess and loess methods</description> <requirements>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/runit/output/dataMatrix.tsv Mon May 01 08:06:08 2017 -0400 @@ -0,0 +1,11 @@ +dataMatrix QC1_001 HU_neg_017 HU_neg_018 HU_neg_020 HU_neg_021 HU_neg_027 HU_neg_028 HU_neg_032 HU_neg_034 QC1_002 HU_neg_037 HU_neg_041 HU_neg_043 HU_neg_044 HU_neg_047 HU_neg_048 QC1_003 HU_neg_049 HU_neg_050 HU_neg_051 HU_neg_052 HU_neg_055 HU_neg_059 HU_neg_060 HU_neg_061 QC1_004 HU_neg_064 HU_neg_065 HU_neg_066 HU_neg_068 HU_neg_071 HU_neg_072 HU_neg_077 HU_neg_078 QC1_005 HU_neg_079 HU_neg_083 HU_neg_086 HU_neg_088 HU_neg_089 HU_neg_090 HU_neg_091 HU_neg_093 HU_neg_094 QC1_006 HU_neg_099 HU_neg_100 HU_neg_101 HU_neg_105 HU_neg_107 HU_neg_108 HU_neg_109 HU_neg_110 HU_neg_111 QC1_007 HU_neg_116 HU_neg_118 HU_neg_123 HU_neg_125 HU_neg_126 HU_neg_127 QC1_008 HU_neg_130 HU_neg_131 HU_neg_132 HU_neg_133 HU_neg_134 HU_neg_138 QC1_009 HU_neg_144 HU_neg_148 HU_neg_149 HU_neg_150 QC1_010 HU_neg_152 HU_neg_154 HU_neg_156 HU_neg_157 HU_neg_158 HU_neg_163 HU_neg_170 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