Mercurial > repos > galaxyp > msi_filtering
annotate msi_filtering.xml @ 6:bab12ded74a5 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
author | galaxyp |
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date | Tue, 24 Jul 2018 04:52:54 -0400 |
parents | 3d5ac78fb2b0 |
children | 73b5a754f35c |
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6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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1 <tool id="mass_spectrometry_imaging_filtering" name="MSI filtering" version="1.10.0.4"> |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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2 <description>tool for filtering mass spectrometry imaging data</description> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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3 <requirements> |
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22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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4 <requirement type="package" version="1.10.0">bioconductor-cardinal</requirement> |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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5 <requirement type="package" version="2.2.1">r-gridextra</requirement> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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6 <requirement type="package" version="2.2.1">r-ggplot2</requirement> |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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7 </requirements> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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8 <command detect_errors="exit_code"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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9 <![CDATA[ |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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10 |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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11 #if $infile.ext == 'imzml' |
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22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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12 ln -s '${infile.extra_files_path}/imzml' infile.imzML && |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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13 ln -s '${infile.extra_files_path}/ibd' infile.ibd && |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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14 #elif $infile.ext == 'analyze75' |
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22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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15 ln -s '${infile.extra_files_path}/hdr' infile.hdr && |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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16 ln -s '${infile.extra_files_path}/img' infile.img && |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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17 ln -s '${infile.extra_files_path}/t2m' infile.t2m && |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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18 #else |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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19 ln -s $infile infile.RData && |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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20 #end if |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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21 cat '${MSI_subsetting}' && |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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22 echo ${MSI_subsetting} && |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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23 Rscript '${MSI_subsetting}' |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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24 |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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25 ]]> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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26 </command> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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27 <configfiles> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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28 <configfile name="MSI_subsetting"><![CDATA[ |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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29 |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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30 |
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22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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31 ################################# load libraries and read file ################# |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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32 |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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33 |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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34 library(Cardinal) |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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35 library(gridExtra) |
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bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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36 library(ggplot2) |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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37 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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38 |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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39 #if $infile.ext == 'imzml' |
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3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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40 #if str($processed_cond.processed_file) == "processed": |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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41 msidata <- readImzML('infile', mass.accuracy=$processed_cond.accuracy, units.accuracy = "$processed_cond.units") |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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42 #else |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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43 msidata <- readImzML('infile') |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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44 #end if |
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f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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45 #elif $infile.ext == 'analyze75' |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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46 msidata = readAnalyze('infile') |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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47 #else |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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48 load('infile.RData') |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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49 #end if |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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50 |
5
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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51 |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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52 ########################### QC numbers ######################## |
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53 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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54 ## Number of features (m/z) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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55 maxfeatures = length(features(msidata)) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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56 ## Range m/z |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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57 minmz = round(min(mz(msidata)), digits=2) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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58 maxmz = round(max(mz(msidata)), digits=2) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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59 ## Number of spectra (pixels) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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60 pixelcount = length(pixels(msidata)) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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61 ## Range x coordinates |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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62 minimumx = min(coord(msidata)[,1]) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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63 maximumx = max(coord(msidata)[,1]) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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64 ## Range y coordinates |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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65 minimumy = min(coord(msidata)[,2]) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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66 maximumy = max(coord(msidata)[,2]) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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67 ## Number of intensities > 0 |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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68 npeaks= sum(spectra(msidata)[]>0, na.rm=TRUE) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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69 ## Spectra multiplied with m/z (potential number of peaks) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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70 numpeaks = ncol(spectra(msidata)[])*nrow(spectra(msidata)[]) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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71 ## Percentage of intensities > 0 |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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72 percpeaks = round(npeaks/numpeaks*100, digits=2) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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73 ## Number of empty TICs |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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74 TICs = colSums(spectra(msidata)[], na.rm=TRUE) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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75 NumemptyTIC = sum(TICs == 0) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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76 ## median TIC |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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77 medint = round(median(TICs), digits=2) |
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78 ## Store features for QC plot |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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79 featuresinfile = mz(msidata) |
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80 |
6
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81 ## Next steps will only run if there are more than 0 intensities/pixels/features in the file |
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82 |
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83 if (sum(spectra(msidata)[]>0, na.rm=TRUE) > 0) |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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84 { |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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85 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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86 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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87 ## prepare dataframe for QC of pixel distribution (will be overwritten in filtering of pixels condition) |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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88 position_df = cbind(coord(msidata)[,1:2], rep("$infile.element_identifier", times=ncol(msidata))) |
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89 |
0
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90 |
5
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91 ###################################### Filtering of pixels ##################### |
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92 ################################################################################ |
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93 |
5
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94 #################### Pixels in the one column format "x=,y=" ##################### |
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95 |
5
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96 #if str($pixels_cond.pixel_filtering) == "single_column": |
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97 print("single column") |
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98 |
6
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99 ## read tabular file, count number of rows (= number of pixels), count how many pixels are valid |
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100 input_list = read.delim("$pixels_cond.single_pixels", header = FALSE, stringsAsFactors = FALSE) |
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101 startingrow = $pixels_cond.pixel_header+1 |
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102 numberpixels = length(startingrow:nrow(input_list)) |
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103 valid_entries = input_list[startingrow:nrow(input_list),$pixels_cond.pixel_column] %in% names(pixels(msidata)) |
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104 validpixels = sum(valid_entries) |
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105 valid_annotations = input_list[valid_entries,c($pixels_cond.pixel_column, $pixels_cond.annotation_column)] |
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106 |
6
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107 ## for valid pixels: filter file for pixels and create dataframe with x,y,annotation for QC |
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108 if (validpixels != 0){ |
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109 ## filter file for pixels |
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110 pixelsofinterest = pixels(msidata)[names(pixels(msidata)) %in% valid_annotations[,1]] |
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111 msidata = msidata[,pixelsofinterest] |
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112 ## position_df for QC |
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113 pixel_coords = coord(msidata)[names(pixels(msidata)) %in% valid_annotations[,1],1:2] |
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114 position_df = cbind(pixel_coords, valid_annotations[,2]) |
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115 }else{ |
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116 msidata = msidata[,0] |
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117 validpixels=0} |
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118 |
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119 ############ Pixels in two columns format: x and y in different columns ############# |
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120 |
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121 #elif str($pixels_cond.pixel_filtering) == "two_columns": |
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122 print("two columns") |
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123 |
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124 ## read tabular file, count number of rows (= number of pixels), extract dataframe with x,y,annotation (for QC), count number of valid pixels |
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125 input_list = read.delim("$pixels_cond.two_columns_pixel", header = FALSE, |
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126 stringsAsFactors = FALSE) |
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127 startingrow = $pixels_cond.pixel_header+1 |
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128 numberpixels = length(startingrow:nrow(input_list)) |
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129 inputpixels = input_list[startingrow:nrow(input_list),c($pixels_cond.pixel_column_x, $pixels_cond.pixel_column_y, $pixels_cond.annotation_column_xy)] |
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130 colnames(inputpixels) = c("x", "y", "annotation") |
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131 position_df = merge(coord(msidata)[,1:2], inputpixels, by=c("x", "y"), all.x=TRUE) |
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132 |
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133 validpixels = nrow(position_df) |
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134 |
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135 ## for valid pixels: filter file for pixels |
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136 if (validpixels != 0){ |
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137 pixelvector = character() |
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138 for (pixel in 1:nrow(position_df)){ |
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139 pixelvector[pixel] = paste0("x = ", position_df[pixel,1],", ", "y = ", position_df[pixel,2])} |
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140 pixelsofinterest= pixels(msidata)[names(pixels(msidata)) %in% pixelvector] |
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141 msidata = msidata[,pixelsofinterest] |
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142 }else{ |
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143 validpixels=0} |
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144 |
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145 ########### Pixels wihin x and y minima and maxima are kept ################### |
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146 |
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147 #elif str($pixels_cond.pixel_filtering) == "pixel_range": |
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148 print("pixel range") |
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149 |
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150 numberpixels = "range" |
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151 validpixels = "range" |
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152 |
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153 ## only filter pixels if at least one pixel will be left |
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154 if (sum(coord(msidata)\$x <= $pixels_cond.max_x_range & coord(msidata)\$x >= $pixels_cond.min_x_range) > 0 & sum(coord(msidata)\$y <= $pixels_cond.max_y_range & coord(msidata)\$y >= $pixels_cond.min_y_range) > 0){ |
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155 |
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156 msidata = msidata[, coord(msidata)\$x <= $pixels_cond.max_x_range & coord(msidata)\$x >= $pixels_cond.min_x_range] |
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157 msidata = msidata[, coord(msidata)\$y <= $pixels_cond.max_y_range & coord(msidata)\$y >= $pixels_cond.min_y_range] |
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158 }else{ |
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159 msidata = msidata[,0] |
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160 print("no valid pixel found")} |
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161 |
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162 #elif str($pixels_cond.pixel_filtering) == "none": |
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163 print("no pixel filtering") |
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164 |
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165 numberpixels = 0 |
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166 validpixels = 0 |
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167 |
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168 #end if |
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169 |
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170 }else{ |
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171 print("Inputfile has no intensities > 0") |
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172 } |
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173 |
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174 ################################# filtering of features ###################### |
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175 ############################################################################## |
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176 |
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177 ####################### Keep m/z from tabular file ######################### |
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178 |
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179 ## feature filtering only when pixels/features/intensities are left |
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180 if (sum(spectra(msidata)[], na.rm=TRUE) > 0) |
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181 { |
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182 |
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183 #if str($features_cond.features_filtering) == "features_list": |
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184 print("feature list") |
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185 |
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186 ## read tabular file, define starting row, extract and count valid features |
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187 input_features = read.delim("$inputfeatures", header = FALSE, stringsAsFactors = FALSE) |
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188 startingrow = $features_cond.feature_header+1 |
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189 extracted_features = input_features[startingrow:nrow(input_features),$features_cond.feature_column] |
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190 numberfeatures = length(extracted_features) |
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191 |
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192 ## find out type of tabular file (numeric or character format) |
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193 if (grepl("m/z = ", input_features[startingrow,$features_cond.feature_column])==FALSE){ |
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194 |
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195 ### if input is in numeric format |
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196 if (class(extracted_features) == "numeric"){ |
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197 ### max digits given in the input file will be used to match m/z but the maximum is 4 |
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198 max_digits = max(nchar(matrix(unlist(strsplit(as.character(extracted_features), "\\.")), ncol=2, byrow=TRUE)[,2])) |
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199 if (max_digits >4) |
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200 { |
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201 max_digits = 4 |
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202 } |
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203 |
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204 validfeatures = round(extracted_features, max_digits) %in% round(mz(msidata),max_digits) |
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205 featuresofinterest = features(msidata)[round(mz(msidata), digits = max_digits) %in% round(extracted_features[validfeatures], max_digits)] |
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206 validmz = length(unique(featuresofinterest)) |
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207 }else{ |
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208 validmz = 0 |
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209 featuresofinterest = 0} |
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210 |
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211 ### if input is already in character format (m/z = 800.01) |
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212 |
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213 }else{ |
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214 validfeatures = extracted_features %in% names(features(msidata)) |
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215 featuresofinterest = features(msidata)[names(features(msidata)) %in% extracted_features[validfeatures]] |
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216 validmz = sum(validfeatures)} |
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217 |
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218 ### filter msidata for valid features |
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219 |
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220 msidata = msidata[featuresofinterest,] |
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221 |
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222 ############### features within a given range are kept ##################### |
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223 |
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224 #elif str($features_cond.features_filtering) == "features_range": |
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225 print("feature range") |
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226 |
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227 numberfeatures = "range" |
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228 validmz = "range" |
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229 |
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230 if (sum(mz(msidata) >= $features_cond.min_mz & mz(msidata) <= $features_cond.max_mz)> 0){ |
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231 msidata = msidata[mz(msidata) >= $features_cond.min_mz & mz(msidata) <= $features_cond.max_mz,] |
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232 }else{ |
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233 msidata = msidata[0,] |
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234 print("no valid mz range")} |
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235 |
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236 ############### Remove m/z from tabular file ######################### |
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237 |
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238 #elif str($features_cond.features_filtering) == "remove_features": |
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239 print("remove features") |
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240 |
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241 ### Tabular file contains mz either as numbers or in the format mz = 800.01 |
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242 |
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243 input_features = read.delim("$inputfeatures_removal", header = FALSE, stringsAsFactors = FALSE) |
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244 startingrow = $features_cond.removal_header+1 |
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245 extracted_features = input_features[startingrow:nrow(input_features),$features_cond.removal_column] |
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246 numberfeatures = length(extracted_features) |
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247 |
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248 if (grepl("m/z = ", input_features[startingrow,$features_cond.removal_column])==TRUE){ |
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249 |
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250 ### if input is mz = 800 character format |
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251 print("input is in format mz = 400") |
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252 validfeatures = extracted_features %in% names(features(msidata)) |
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253 validmz = sum(validfeatures) |
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254 filtered_features = features(msidata)[names(features(msidata)) %in% extracted_features[validfeatures]] |
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255 featuresofinterest = mz(msidata)[filtered_features] |
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256 |
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257 ### if input is numeric: |
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258 }else{ |
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259 if (class(extracted_features) == "numeric"){ |
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260 print("input is numeric") |
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261 featuresofinterest = extracted_features |
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262 validmz = sum(featuresofinterest <= max(mz(msidata))& featuresofinterest >= min(mz(msidata))) |
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263 }else{featuresofinterest = 0 |
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264 validmz = 0} |
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265 } |
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266 |
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267 ### Here starts removal of features: |
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268 |
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269 plusminus = $features_cond.removal_plusminus |
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270 |
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271 mass_to_remove = numeric() |
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272 if (sum(featuresofinterest) > 0){ |
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273 for (masses in featuresofinterest){ |
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274 #if str($features_cond.units_removal) == "ppm": |
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275 plusminus = masses * $features_cond.removal_plusminus/1000000 |
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276 #end if |
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277 current_mass = which(c(mz(msidata) <= masses + plusminus & mz(msidata) >= masses - plusminus)) |
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278 mass_to_remove = append(mass_to_remove, current_mass)} |
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279 msidata= msidata[-mass_to_remove, ] |
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280 }else{print("No features were removed as they were not fitting to m/z values and/or range")} |
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281 |
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282 |
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283 #elif str($features_cond.features_filtering) == "none": |
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284 |
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285 print("no feature filtering") |
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286 validmz = 0 |
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287 numberfeatures = 0 |
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288 |
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289 #end if |
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290 |
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291 ## save msidata as Rfile |
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292 save(msidata, file="$msidata_filtered") |
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293 |
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294 }else{ |
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295 print("Inputfile or file filtered for pixels has no intensities > 0") |
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296 numberfeatures = NA |
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297 validmz = NA |
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298 } |
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299 |
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300 #################### QC numbers ####################### |
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301 |
0
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302 |
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303 ## Number of features (m/z) |
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304 maxfeatures2 = length(features(msidata)) |
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305 ## Range m/z |
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306 minmz2 = round(min(mz(msidata)), digits=2) |
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307 maxmz2 = round(max(mz(msidata)), digits=2) |
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308 ## Number of spectra (pixels) |
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309 pixelcount2 = length(pixels(msidata)) |
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310 ## Range x coordinates |
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311 minimumx2 = min(coord(msidata)[,1]) |
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312 maximumx2 = max(coord(msidata)[,1]) |
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313 ## Range y coordinates |
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314 minimumy2 = min(coord(msidata)[,2]) |
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315 maximumy2 = max(coord(msidata)[,2]) |
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316 ## Number of intensities > 0 |
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317 npeaks2= sum(spectra(msidata)[]>0, na.rm=TRUE) |
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318 ## Spectra multiplied with m/z (potential number of peaks) |
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319 numpeaks2 = ncol(spectra(msidata)[])*nrow(spectra(msidata)[]) |
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320 ## Percentage of intensities > 0 |
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321 percpeaks2 = round(npeaks2/numpeaks2*100, digits=2) |
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322 ## Number of empty TICs |
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323 TICs2 = colSums(spectra(msidata)[], na.rm=TRUE) |
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324 NumemptyTIC2 = sum(TICs2 == 0) |
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325 ## median TIC |
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326 medint2 = round(median(TICs2), digits=2) |
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327 |
5
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328 properties = c("Number of m/z features", |
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329 "Range of m/z values", |
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330 "Number of pixels", |
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331 "Range of x coordinates", |
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332 "Range of y coordinates", |
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333 "Intensities > 0", |
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334 "Median TIC per pixel", |
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335 "Number of zero TICs", |
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336 "pixel overview", |
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337 "feature overview") |
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338 |
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339 before = c(paste0(maxfeatures), |
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340 paste0(minmz, " - ", maxmz), |
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341 paste0(pixelcount), |
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342 paste0(minimumx, " - ", maximumx), |
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343 paste0(minimumy, " - ", maximumy), |
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344 paste0(percpeaks, " %"), |
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345 paste0(medint), |
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346 paste0(NumemptyTIC), |
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347 paste0("input pixels: ", numberpixels), |
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348 paste0("input mz: ", numberfeatures)) |
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349 |
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350 filtered = c(paste0(maxfeatures2), |
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351 paste0(minmz2, " - ", maxmz2), |
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352 paste0(pixelcount2), |
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353 paste0(minimumx2, " - ", maximumx2), |
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354 paste0(minimumy2, " - ", maximumy2), |
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355 paste0(percpeaks2, " %"), |
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356 paste0(medint2), |
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357 paste0(NumemptyTIC2), |
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358 paste0("valid pixels: ", validpixels), |
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359 paste0("valid mz: ", validmz)) |
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360 |
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361 property_df = data.frame(properties, before, filtered) |
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362 |
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363 ############################### PDF QC ################################ |
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364 |
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365 |
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366 pdf("filtertool_QC.pdf", fonts = "Times", pointsize = 12) |
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367 plot(0,type='n',axes=FALSE,ann=FALSE) |
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368 title(main=paste0("Qualitycontrol of filtering tool for file: \n\n", "$infile.display_name")) |
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369 grid.table(property_df, rows= NULL) |
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370 |
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371 ## QC report with more than value-table: only when pixels/features/intensities are left |
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372 if (sum(spectra(msidata)[], na.rm=TRUE) > 0) |
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373 { |
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374 ### visual pixel control |
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375 |
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376 colnames(position_df)[3] = "annotation_name" |
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377 pixel_image = ggplot(position_df, aes(x=x, y=y, fill=annotation_name))+ |
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378 geom_tile() + |
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379 coord_fixed()+ |
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380 ggtitle("Spatial orientation of combined data")+ |
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381 theme_bw()+ |
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382 theme(text=element_text(family="ArialMT", face="bold", size=15))+ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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changeset
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383 theme(legend.position="bottom",legend.direction="vertical")+ |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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384 guides(fill=guide_legend(ncol=4,byrow=TRUE)) |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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385 coord_labels = aggregate(cbind(x,y)~annotation_name, data=position_df, mean, na.rm=TRUE, na.action="na.pass") |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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386 coord_labels\$file_number = gsub( "_.*$", "", coord_labels\$annotation_name) |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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parents:
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diff
changeset
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387 |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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changeset
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388 print(pixel_image) |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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changeset
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389 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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390 ### control features which are removed |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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391 hist(mz(msidata), xlab="m/z", main="Kept m/z values") |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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392 #if str($features_cond.features_filtering) == "none": |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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393 print("no difference histogram as no m/z filtering took place") |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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394 #else: |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
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395 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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396 if (isTRUE(all.equal(featuresinfile, mz(msidata)))){ |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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397 print("No difference in m/z values before and after filtering, no histogram drawn") |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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398 }else{ |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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399 hist(setdiff(featuresinfile, mz(msidata)), xlab="m/z", main="Removed m/z values")} |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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400 #end if |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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changeset
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401 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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402 dev.off() |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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parents:
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changeset
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403 |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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404 ############################### optional intensity matrix ###################### |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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parents:
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changeset
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405 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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406 #if $output_matrix: |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
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changeset
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407 |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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408 spectramatrix = spectra(msidata)[] |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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parents:
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409 spectramatrix = cbind(mz(msidata),spectramatrix) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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410 newmatrix = rbind(c("mz | spectra", names(pixels(msidata))), spectramatrix) |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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411 write.table(newmatrix, file="$matrixasoutput", quote = FALSE, row.names = FALSE, col.names=FALSE, sep = "\t") |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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412 |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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413 #end if |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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diff
changeset
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414 |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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changeset
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415 }else{ |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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416 print("Inputfile or filtered file has no intensities > 0") |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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417 dev.off() |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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parents:
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diff
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418 } |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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changeset
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419 ]]></configfile> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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parents:
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changeset
|
420 </configfiles> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
421 <inputs> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
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diff
changeset
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422 <param name="infile" type="data" format="imzml,rdata,analyze75" |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
423 label="Inputfile as imzML, Analyze7.5 or Cardinal MSImageSet saved as RData" |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
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424 help="Upload composite datatype imzML (ibd+imzML) or analyze75 (hdr+img+t2m) or regular upload .RData (Cardinal MSImageSet)"/> |
5
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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parents:
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changeset
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425 <conditional name="processed_cond"> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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parents:
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diff
changeset
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426 <param name="processed_file" type="select" label="Is the input file a processed imzML file "> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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parents:
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diff
changeset
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427 <option value="no_processed" selected="True">not a processed imzML</option> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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428 <option value="processed">processed imzML</option> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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diff
changeset
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429 </param> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
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diff
changeset
|
430 <when value="no_processed"/> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
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diff
changeset
|
431 <when value="processed"> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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432 <param name="accuracy" type="float" value="50" label="Mass accuracy to which the m/z values will be binned" help="This should be set to the native accuracy of the mass spectrometer, if known"/> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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changeset
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433 <param name="units" display="radio" type="select" label="Unit of the mass accuracy" help="either m/z or ppm"> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
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diff
changeset
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434 <option value="mz" >mz</option> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
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diff
changeset
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435 <option value="ppm" selected="True" >ppm</option> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
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diff
changeset
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436 </param> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
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diff
changeset
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437 </when> |
3d5ac78fb2b0
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
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changeset
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438 </conditional> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
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439 |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
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changeset
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440 <conditional name="pixels_cond"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
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441 <param name="pixel_filtering" type="select" label="Select pixel filtering option"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
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changeset
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442 <option value="none" selected="True">none</option> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
443 <option value="single_column">tabular file with single column (x = 1, y = 1)</option> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
444 <option value="two_columns">tabular file with separate columns for x and y values</option> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
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445 <option value="pixel_range">ranges for x and y</option> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
446 </param> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
447 <when value="none"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
448 <when value="single_column"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
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449 <param name="single_pixels" type="data" format="tabular" label="Pixels in single column for filtering of MSI data" |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
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450 help="tabular file with pixels of interest in the form x = 1, y = 1"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
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451 <param name="pixel_column" data_ref="single_pixels" label="Column with pixels" type="data_column"/> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
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diff
changeset
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452 <param name="annotation_column" data_ref="single_pixels" label="Column with annotations for each pixel" type="data_column"/> |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
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diff
changeset
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453 <param name="pixel_header" label="Number of header lines to skip" value="0" type="integer"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
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454 </when> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
455 <when value="two_columns"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
456 <param name="two_columns_pixel" type="data" format="tabular" label="Pixels in two columns for filtering of MSI data" |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
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diff
changeset
|
457 help="tabular file with pixels of interest in two separate columns"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
458 <param name="pixel_column_x" data_ref="two_columns_pixel" label="Column with x values" type="data_column"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
459 <param name="pixel_column_y" data_ref="two_columns_pixel" label="Column with y values" type="data_column"/> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
460 <param name="annotation_column_xy" data_ref="two_columns_pixel" label="Column with annotations" type="data_column"/> |
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
461 <param name="pixel_header" label="Number of header lines to skip" value="0" type="integer"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
462 </when> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
463 <when value="pixel_range"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
464 <param name="min_x_range" type="integer" value="0" label="Minimum value for x"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
465 <param name="max_x_range" type="integer" value="100" label="Maximum value for x"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
466 <param name="min_y_range" type="integer" value="0" label="Minimum value for y"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
467 <param name="max_y_range" type="integer" value="100" label="Maximum value for y"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
468 </when> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
469 </conditional> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
470 |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
471 <conditional name="features_cond"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
472 <param name="features_filtering" type="select" label="Select feature filtering option"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
473 <option value="none" selected="True">none</option> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
474 <option value="features_list">keep features (tabular input)</option> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
475 <option value="features_range">keep features within a range (manual input)</option> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
476 <option value="remove_features">remove features (tabular input)</option> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
477 </param> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
478 <when value="none"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
479 <when value="features_list"> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
480 <param name="inputfeatures" type="data" format="tabular" label="Features for filtering of MSI data" help="tabular file with m/z of interest either as numbers (800.05) or in the form m/z = 800.05"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
481 <param name="feature_column" data_ref="inputfeatures" label="Column with features" type="data_column"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
482 <param name="feature_header" label="Number of header lines to skip" value="0" type="integer"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
483 </when> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
484 <when value="features_range"> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
485 <param name="min_mz" type="float" value="1" label="Minimum value for m/z"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
486 <param name="max_mz" type="float" value="100" label="Maximum value for m/z"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
487 </when> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
488 <when value="remove_features"> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
489 <param name="inputfeatures_removal" type="data" format="tabular" label="Features for filtering of MSI data" help="tabular file with m/z to be removed either as numbers (800.05) or in the form m/z = 800.05"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
490 <param name="removal_column" data_ref="inputfeatures_removal" label="Column with features" type="data_column"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
491 <param name="removal_header" label="Number of header lines to skip" value="0" type="integer"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
492 <param name="removal_plusminus" type="float" value="20" label="Window in which m/z will be removed" help="This value will be added and substracted from the given input value"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
493 <param name="units_removal" type="select" display = "radio" optional = "False" label="units"> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
494 <option value="ppm" selected="True">ppm</option> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
495 <option value="Da">Da</option> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
496 </param> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
497 </when> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
498 </conditional> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
499 <param name="output_matrix" type="boolean" display="radio" label="Intensity matrix output"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
500 </inputs> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
501 |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
502 <outputs> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
503 <data format="rdata" name="msidata_filtered" label="$infile.display_name filtered"/> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
504 <data format="pdf" name="filtering_qc" from_work_dir="filtertool_QC.pdf" label = "$infile.display_name filtered_QC"/> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
505 <data format="tabular" name="matrixasoutput" label="$infile.display_name filtered_matrix"> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
506 <filter>output_matrix</filter> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
507 </data> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
508 </outputs> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
509 <tests> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
510 <test expect_num_outputs="2"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
511 <param name="infile" value="" ftype="imzml"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
512 <composite_data value="Example_Continuous.imzML"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
513 <composite_data value="Example_Continuous.ibd"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
514 </param> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
515 <param name="pixel_filtering" value="single_column"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
516 <param name="single_pixels" ftype="tabular" value = "inputpixels.tabular"/> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
517 <param name="pixel_column" value="1"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
518 <param name="features_filtering" value="features_list"/> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
519 <param name="inputfeatures" ftype="tabular" value = "inputfeatures.tabular"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
520 <param name="feature_column" value="2"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
521 <param name="feature_header" value="1"/> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
522 <output name="filtering_qc" file="imzml_filtered.pdf" compare="sim_size" delta="20000"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
523 <output name="msidata_filtered" file="imzml_filtered.RData" compare="sim_size" /> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
524 </test> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
525 <test expect_num_outputs="2"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
526 <param name="infile" value="" ftype="imzml"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
527 <composite_data value="Example_Continuous.imzML"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
528 <composite_data value="Example_Continuous.ibd"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
529 </param> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
530 <param name="pixel_filtering" value="pixel_range"/> |
2
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
531 <param name="min_x_range" value="10"/> |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
532 <param name="max_x_range" value="20"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
533 <param name="min_y_range" value="2"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
534 <param name="max_y_range" value="2"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
535 <output name="filtering_qc" file="imzml_filtered2.pdf" compare="sim_size" delta="20000"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
536 <output name="msidata_filtered" file="imzml_filtered2.RData" compare="sim_size" /> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
537 </test> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
538 <test expect_num_outputs="3"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
539 <param name="infile" value="" ftype="imzml"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
540 <composite_data value="Example_Continuous.imzML"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
541 <composite_data value="Example_Continuous.ibd"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
542 </param> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
543 <param name="pixel_filtering" value="pixel_range"/> |
2
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
544 <param name="min_x_range" value="1"/> |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
545 <param name="max_x_range" value="20"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
546 <param name="min_y_range" value="2"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
547 <param name="max_y_range" value="2"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
548 <param name="features_filtering" value="features_range"/> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
549 <param name="min_mz" value="350" /> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
550 <param name="max_mz" value="500"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
551 <param name="output_matrix" value="True"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
552 <output name="filtering_qc" file="imzml_filtered3.pdf" compare="sim_size" delta="20000"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
553 <output name="msidata_filtered" file="imzml_filtered3.RData" compare="sim_size" /> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
554 <output name="matrixasoutput" file="imzml_matrix3.tabular"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
555 </test> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
556 <test expect_num_outputs="2"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
557 <param name="infile" value="" ftype="imzml"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
558 <composite_data value="Example_Continuous.imzML"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
559 <composite_data value="Example_Continuous.ibd"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
560 </param> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
561 <param name="pixel_filtering" value="two_columns"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
562 <param name="two_columns_pixel" ftype="tabular" value = "inputpixels_2column.tabular"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
563 <param name="pixel_column_x" value="1"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
564 <param name="pixel_column_y" value="3"/> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
galaxyp
parents:
5
diff
changeset
|
565 <param name="annotation_column_xy" value="2"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
566 <param name="features_filtering" value="features_list"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
567 <param name="inputfeatures" ftype="tabular" value = "inputcalibrantfile2.txt"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
568 <param name="feature_column" value="1"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
569 <param name="feature_header" value="0"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
570 <output name="filtering_qc" file="imzml_filtered4.pdf" compare="sim_size" delta="20000"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
571 <output name="msidata_filtered" file="imzml_filtered4.RData" compare="sim_size" /> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
572 </test> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
573 <test expect_num_outputs="2"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
574 <param name="infile" value="" ftype="imzml"> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
575 <composite_data value="Example_Continuous.imzML"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
576 <composite_data value="Example_Continuous.ibd"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
577 </param> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
578 <param name="pixel_filtering" value="pixel_range"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
579 <param name="min_x_range" value="0"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
580 <param name="max_x_range" value="10"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
581 <param name="min_y_range" value="2"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
582 <param name="max_y_range" value="20"/> |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
583 <param name="features_filtering" value="features_list"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
584 <param name="inputfeatures" ftype="tabular" value = "featuresofinterest5.tabular"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
585 <param name="feature_column" value="1"/> |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
586 <param name="feature_header" value="0"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
587 <output name="filtering_qc" file="imzml_filtered5.pdf" compare="sim_size" delta="20000"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
588 <output name="msidata_filtered" file="imzml_filtered5.RData" compare="sim_size" /> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
589 </test> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
590 <test expect_num_outputs="3"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
591 <param name="infile" value="" ftype="analyze75"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
592 <composite_data value="Analyze75.hdr"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
593 <composite_data value="Analyze75.img"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
594 <composite_data value="Analyze75.t2m"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
595 </param> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
596 <param name="pixel_filtering" value="single_column"/> |
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
597 <param name="single_pixels" ftype="tabular" value = "inputpixels2.tabular"/> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
598 <param name="pixel_column" value="1"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents:
0
diff
changeset
|
599 <param name="features_filtering" value="features_list"/> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
600 <param name="inputfeatures" ftype="tabular" value = "featuresofinterest2.tabular"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
galaxyp
parents:
diff
changeset
|
601 <param name="feature_column" value="1"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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602 <param name="output_matrix" value="True"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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603 <output name="filtering_qc" file="analyze_filtered.pdf" compare="sim_size" delta="20000"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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604 <output name="msidata_filtered" file="analyze_filtered.RData" compare="sim_size" /> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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605 <output name="matrixasoutput" file="analyze_matrix.tabular"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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606 </test> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
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607 <test expect_num_outputs="2"> |
0
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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608 <param name="infile" value="" ftype="analyze75"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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609 <composite_data value="Analyze75.hdr"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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610 <composite_data value="Analyze75.img"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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611 <composite_data value="Analyze75.t2m"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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612 </param> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
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613 <output name="filtering_qc" file="analyze75_filtered2.pdf" compare="sim_size" delta="20000"/> |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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614 <output name="msidata_filtered" file="analyze_filteredoutside.RData" compare="sim_size" /> |
0
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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615 </test> |
6
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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616 <test expect_num_outputs="3"> |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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617 <param name="infile" value="preprocessed.RData" ftype="rdata"/> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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618 <conditional name="outputs"> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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619 <param name="outputs_select" value="no_quality_control"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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620 </conditional> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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621 <param name="output_matrix" value="True"/> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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622 <output name="matrixasoutput" file="rdata_matrix.tabular"/> |
1
98c101b19f3c
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
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623 <output name="msidata_filtered" file="rdata_notfiltered.RData" compare="sim_size" /> |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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624 <output name="filtering_qc" file="rdata_notfiltered.pdf" compare="sim_size" /> |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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625 </test> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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626 </tests> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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627 <help> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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628 <![CDATA[ |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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629 |
2
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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630 Cardinal is an R package that implements statistical & computational tools for analyzing mass spectrometry imaging datasets. `More information on Cardinal <http://cardinalmsi.org//>`_ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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631 |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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632 This tool provides provides options to filter (subset) pixels and m/z features of mass spectrometry imaging data. |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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633 |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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634 Input data: 3 types of input data can be used: |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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635 |
2
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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636 - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/wp/imzml/>`_ |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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637 - Analyze7.5 (upload hdr, img and t2m file via the "composite" function) |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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638 - Cardinal "MSImageSet" data (with variable name "msidata", saved as .RData) |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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639 |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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640 |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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641 Options: |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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642 |
6
bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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643 - pixel filtering/annotation: either with a tabular file containing x and y coordinates and pixel annotations or by defining a range for x and y by hand (for the latter no annotation is possible) |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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644 - m/z feature filtering: can use a tabular file containing m/z of interest or by defining a range for the m/z values (! numeric input will be rounded to 2 digits before matching to m/z!) |
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bab12ded74a5
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 5bceedc3a11c950790692a4c64bbb83d46897bee
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645 - m/z feature removing: perturbing m/z such as matrix contaminants can be removed by specifying their m/z in a tabular file and optionally set a window (window in ppm or m/z in which peaks should be removed) |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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646 |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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647 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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648 Output: |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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649 |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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650 - imzML file filtered for pixels and/or m/z |
4
bf61fc662615
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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651 - optional: pdf with heatmap showing the pixels that are left after filtering and histograms of kept and removed m/z |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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652 - optional: intensity matrix as tabular file (intensities for m/z in rows and pixel in columns) |
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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653 |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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654 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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655 Tip: |
22db5eb94e50
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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656 |
3
d51c3c814d57
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit a7be47698f53eb4f00961192327d93e8989276a7
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657 - It is recommended to use the filtering tool only for m/z which have been extracted from the same dataset. If you have m/z from dataset A and you want to use them to filter dataset B, first find the corresponding (closest) features in dataset B by using the tool "Join two files on column allowing a small difference". Afterwards use the corresponding feature m/z from dataset A to filter dataset B. |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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658 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_filtering commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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659 |
0
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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660 ]]> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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661 </help> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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662 <citations> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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|
663 <citation type="doi">10.1093/bioinformatics/btv146</citation> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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|
664 </citations> |
f17d3f1a065f
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_filtering commit 3363c40790b0d64a085f980980f4289165eed27f
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665 </tool> |