Mercurial > repos > galaxyp > msi_spectra_plot
annotate msi_spectra_plots.xml @ 3:fe28ca73548a draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
author | galaxyp |
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date | Mon, 11 Jun 2018 17:34:44 -0400 |
parents | ea4f1c516368 |
children | 9eef2792afa4 |
rev | line source |
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3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
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1 <tool id="mass_spectrometry_imaging_mzplots" name="MSI plot spectra" version="1.10.0.1"> |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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2 <description> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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3 mass spectrometry imaging mass spectra plots |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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4 </description> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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5 <requirements> |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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6 <requirement type="package" version="1.10.0">bioconductor-cardinal</requirement> |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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7 <requirement type="package" version="2.2.1">r-gridextra</requirement> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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8 </requirements> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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9 <command detect_errors="exit_code"> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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10 <![CDATA[ |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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11 #if $infile.ext == 'imzml' |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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12 ln -s '${infile.extra_files_path}/imzml' infile.imzML && |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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13 ln -s '${infile.extra_files_path}/ibd' infile.ibd && |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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14 #elif $infile.ext == 'analyze75' |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
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15 ln -s '${infile.extra_files_path}/hdr' infile.hdr && |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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16 ln -s '${infile.extra_files_path}/img' infile.img && |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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17 ln -s '${infile.extra_files_path}/t2m' infile.t2m && |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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18 #else |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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19 ln -s $infile infile.RData && |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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20 #end if |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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21 cat '${MSI_mzplots}' && |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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22 Rscript '${MSI_mzplots}' |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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23 ]]> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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24 </command> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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25 <configfiles> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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26 <configfile name="MSI_mzplots"><![CDATA[ |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
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27 |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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28 ################################# load libraries and read file ################# |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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29 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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30 library(Cardinal) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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31 library(gridExtra) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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32 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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33 ## Read MALDI Imaging dataset |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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34 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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35 #if $infile.ext == 'imzml' |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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36 msidata = readImzML('infile') |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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37 #elif $infile.ext == 'analyze75' |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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38 msidata = readAnalyze('infile') |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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39 #else |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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40 load('infile.RData') |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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41 #end if |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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42 |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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43 ###################################### file properties in numbers ############## |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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44 |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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45 ## Number of features (m/z) |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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46 maxfeatures = length(features(msidata)) |
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fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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47 ## Range m/z |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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48 minmz = round(min(mz(msidata)), digits=2) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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49 maxmz = round(max(mz(msidata)), digits=2) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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50 ## Number of spectra (pixels) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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51 pixelcount = length(pixels(msidata)) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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52 ## Range x coordinates |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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53 minimumx = min(coord(msidata)[,1]) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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54 maximumx = max(coord(msidata)[,1]) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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55 ## Range y coordinates |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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56 minimumy = min(coord(msidata)[,2]) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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57 maximumy = max(coord(msidata)[,2]) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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58 ## Range of intensities |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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59 minint = round(min(spectra(msidata)[]), digits=2) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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60 maxint = round(max(spectra(msidata)[]), digits=2) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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61 medint = round(median(spectra(msidata)[]), digits=2) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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62 ## Number of intensities > 0 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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63 npeaks= sum(spectra(msidata)[]>0) |
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fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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64 ## Spectra multiplied with m/z (potential number of peaks) |
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c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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65 numpeaks = ncol(spectra(msidata)[])*nrow(spectra(msidata)[]) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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66 ## Percentage of intensities > 0 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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67 percpeaks = round(npeaks/numpeaks*100, digits=2) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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68 ## Number of empty TICs |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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69 TICs = colSums(spectra(msidata)[]) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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70 NumemptyTIC = sum(TICs == 0) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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71 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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72 ## Processing informations |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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73 processinginfo = processingData(msidata) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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74 centroidedinfo = processinginfo@centroided # TRUE or FALSE |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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75 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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76 ## if TRUE write processinginfo if no write FALSE |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
77 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
78 ## normalization |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
79 if (length(processinginfo@normalization) == 0) { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
80 normalizationinfo='FALSE' |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
81 } else { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
82 normalizationinfo=processinginfo@normalization |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
83 } |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
84 ## smoothing |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
85 if (length(processinginfo@smoothing) == 0) { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
86 smoothinginfo='FALSE' |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
87 } else { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
88 smoothinginfo=processinginfo@smoothing |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
89 } |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
90 ## baseline |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
91 if (length(processinginfo@baselineReduction) == 0) { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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92 baselinereductioninfo='FALSE' |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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93 } else { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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94 baselinereductioninfo=processinginfo@baselineReduction |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
95 } |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
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|
96 ## peak picking |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
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97 if (length(processinginfo@peakPicking) == 0) { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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98 peakpickinginfo='FALSE' |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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99 } else { |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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100 peakpickinginfo=processinginfo@peakPicking |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
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101 } |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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102 |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
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2
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103 properties = c("Number of m/z features", |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
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104 "Range of m/z values [Da]", |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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105 "Number of pixels", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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106 "Range of x coordinates", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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107 "Range of y coordinates", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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108 "Range of intensities", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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109 "Median of intensities", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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110 "Intensities > 0", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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|
111 "Number of zero TICs", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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112 "Preprocessing", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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113 "Normalization", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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114 "Smoothing", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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115 "Baseline reduction", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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116 "Peak picking", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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117 "Centroided") |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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|
118 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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119 values = c(paste0(maxfeatures), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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120 paste0(minmz, " - ", maxmz), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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121 paste0(pixelcount), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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122 paste0(minimumx, " - ", maximumx), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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|
123 paste0(minimumy, " - ", maximumy), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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124 paste0(minint, " - ", maxint), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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125 paste0(medint), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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126 paste0(percpeaks, " %"), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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127 paste0(NumemptyTIC), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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128 paste0(" "), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
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129 paste0(normalizationinfo), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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130 paste0(smoothinginfo), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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131 paste0(baselinereductioninfo), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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132 paste0(peakpickinginfo), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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133 paste0(centroidedinfo)) |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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134 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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135 property_df = data.frame(properties, values) |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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parents:
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136 |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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137 ######################################## PDF ################################### |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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138 ################################################################################ |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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139 ################################################################################ |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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140 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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141 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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142 pdf("mzplots.pdf", fonts = "Times", pointsize = 12) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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143 plot(0,type='n',axes=FALSE,ann=FALSE) |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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144 #if not $filename: |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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145 #set $filename = $infile.display_name |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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146 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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147 title(main=paste0("Plotted mass spectra for file: \n\n","$filename")) |
0
c93ae3463b30
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148 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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parents:
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149 |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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150 ############################# I) numbers ###################################### |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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151 ############################################################################### |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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152 |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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153 grid.table(property_df, rows= NULL) |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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154 |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
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155 if (npeaks > 0){ |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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156 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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157 pixeldf = data.frame(matrix(ncol = 2, nrow=0)) |
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158 |
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159 ############################# single pixel ################################ |
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160 ########################################################################### |
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161 |
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162 #if str( $pixel_conditional.pixel_type) == 'single_pixel': |
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163 print("single_pixel") |
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164 |
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165 #for $chosenpixel in $pixel_conditional.repeatpixel: |
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166 |
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167 pixelisvalid = as.character($chosenpixel.inputx %in% coord(msidata)\$x & $chosenpixel.inputy %in% coord(msidata)\$y) |
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168 pixelname = paste0("x=", $chosenpixel.inputx,", ", "y=", $chosenpixel.inputy) |
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169 pixeldf = rbind(pixeldf, cbind(pixelname, pixelisvalid)) |
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170 |
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171 ############################# II) control image #################### |
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172 |
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173 if (pixelisvalid == "TRUE"){ |
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174 print(pixelisvalid) |
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175 |
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176 image(msidata, mz=$chosenpixel.inputmz, ylim = c(maximumy+(0.2*maximumy),minimumy-1), |
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177 colorkey=FALSE, plusminus = $chosenpixel.plusminusinDalton, contrast.enhance = "histogram", |
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178 main= paste0("x= ",$chosenpixel.inputx, ", y= ", $chosenpixel.inputy)) |
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179 |
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180 abline(v=$chosenpixel.inputx, col ="$chosenpixel.inputcolour", lty="$chosenpixel.inputtype", lwd=$chosenpixel.inputwidth) |
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181 abline(h=$chosenpixel.inputy, col ="$chosenpixel.inputcolour", lty="$chosenpixel.inputtype", lwd=$chosenpixel.inputwidth) |
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182 |
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183 ##################### III) plot full mass spectrum ################# |
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184 |
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185 plot(msidata, coord=list(x=$chosenpixel.inputx, y=$chosenpixel.inputy)) |
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186 |
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187 ##################### IV) plot zoom-in mass spectrum ############### |
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188 |
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189 #if $chosenpixel.zoomedplot: |
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190 #for $token in $chosenpixel.zoomedplot: |
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191 |
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192 minmasspixel = features(msidata, mz=$token.xlimmin) |
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193 maxmasspixel = features(msidata, mz=$token.xlimmax) |
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194 |
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195 plot(msidata[minmasspixel:maxmasspixel,], coord=list(x=$chosenpixel.inputx, y=$chosenpixel.inputy), |
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196 xlim= c($token.xlimmin,$token.xlimmax)) |
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197 |
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198 #end for |
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199 #end if |
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200 }else{ |
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201 print("The pixel coordinates did not correspond to a real pixel")} |
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202 #end for |
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203 |
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204 colnames(pixeldf) = c("pixel coordinates", "coordinates were found in this file") |
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205 |
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206 |
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207 ############################# sample pixel ################################ |
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208 ########################################################################### |
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209 |
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210 #elif str( $pixel_conditional.pixel_type) == 'sample_pixel': |
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211 print("sample_pixel") |
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212 |
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213 ##################### I) Sample: plot full mass spectrum ############## |
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214 |
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215 plot(msidata, pixel=1:ncol(msidata), pixel.groups=msidata\$combined_sample, key=TRUE, col=c("blue", "orange", "green", "red", "yellow", "grey"), superpose=TRUE) |
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216 |
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217 ##################### II) Sample: plot zoom-in mass spectrum ########## |
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218 |
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219 #if $pixel_conditional.zoomed_sample: |
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220 #for $token in $pixel_conditional.zoomed_sample: |
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221 |
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222 minmasspixel = features(msidata, mz=$token.xlimmin) |
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223 maxmasspixel = features(msidata, mz=$token.xlimmax) |
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224 |
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225 plot(msidata[minmasspixel:maxmasspixel,], pixel=1:ncol(msidata), |
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226 xlim= c($token.xlimmin,$token.xlimmax),pixel.groups=msidata\$combined_sample, |
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227 key=TRUE,col=c("blue", "orange", "green", "red", "yellow", "grey"), superpose=TRUE) |
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228 |
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229 #end for |
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230 #end if |
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231 |
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232 pixeldf = data.frame(table(msidata\$combined_sample)) |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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233 colnames(pixeldf) = c("sample name", "number of pixels") |
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234 |
2
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235 #end if |
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236 |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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237 plot(0,type='n',axes=FALSE,ann=FALSE) |
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238 title(main="Overview of chosen pixel:") |
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239 grid.table(pixeldf, rows= NULL) |
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240 |
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241 dev.off() |
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242 |
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243 }else{ |
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244 print("Inputfile has no intensities > 0") |
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245 dev.off() |
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246 } |
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247 ]]></configfile> |
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248 </configfiles> |
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249 <inputs> |
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250 <param name="infile" type="data" format="imzml,rdata,analyze75" label="Inputfile as imzML, Analyze7.5 or Cardinal MSImageSet saved as RData" |
c93ae3463b30
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251 help="Upload composite datatype imzml (ibd+imzML) or analyze75 (hdr+img+t2m) or regular upload .RData (Cardinal MSImageSet)"/> |
3
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252 <param name="filename" type="text" value="" label="Title" help="will appear in the pdf output. If nothing given it will take the dataset name"/> |
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253 <conditional name="pixel_conditional"> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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254 <param name="pixel_type" type="select" label="Select if you want to plot the mass spectrum of a single pixel or of all pixels of a sample"> |
ea4f1c516368
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255 <option value="single_pixel" selected="True">Single pixel</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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256 <option value="sample_pixel">All pixels of a sample</option> |
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257 </param> |
2
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258 <when value="single_pixel"> |
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259 <repeat name="repeatpixel" title="Plot mass spectra for pixel of interest" min="1" max="20"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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260 <param name="inputx" type="integer" value="" label="x-coordinate of pixel of interest" help="x-value of the pixel of interest"/> |
ea4f1c516368
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261 <param name="inputy" type="integer" value="" label="y-coordinate of pixel of interest" help="y-value of the pixel of interest"/> |
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262 <param name="inputmz" type="float" value="1296.7" label="Next parameters are to control heatmap image which will be plotted, here m/z in Dalton" help="m/z will be displayed as heatmap and the pixel of interest will be visualized by the intersection of two lines"/> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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263 <param name="plusminusinDalton" value="0.25" type="float" label="m/z range for this m/z value" help="plusminus m/z window in Dalton"/> |
2
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264 <param name="inputcolour" type="select" label="select the colour for the lines at x and y position"> |
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265 <option value="white" selected="True">white</option> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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266 <option value="black">black</option> |
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267 <option value="grey">grey</option> |
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268 <option value="blue">blue</option> |
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269 <option value="red">red</option> |
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270 <option value="green">green</option> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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271 </param> |
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272 <param name="inputtype" type="select" label="select the line type for the lines at x and y position"> |
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273 <option value="solid" selected="True">solid</option> |
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274 <option value="dashed">dashed</option> |
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275 <option value="dotted">dotted</option> |
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276 <option value="longdash">longdash</option> |
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277 </param> |
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278 <param name="inputwidth" type="integer" value="2" label="select the width of the lines at x and y position"/> |
3
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279 <repeat name="zoomedplot" title="Zoomed in plots with m/z min and m/z max to define the plot window" min="0" max="50"> |
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280 <param name="xlimmin" type="integer" value="" label="lower boundary in Dalton for plotting window" help="minimum m/z for zoomed in window"/> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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281 <param name="xlimmax" type="integer" value="" label="upper boundary in Dalton for plotting window" help="maximum m/z for zoomed in window"/> |
2
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282 </repeat> |
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283 </repeat> |
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284 </when> |
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285 <when value="sample_pixel"> |
3
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286 <repeat name="zoomed_sample" title="Zoomed in plots with m/z min and m/z max to define the plot window" min="0" max="50"> |
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287 <param name="xlimmin" type="integer" value="" label="lower boundary in Dalton for plotting window" help="minimum m/z for zoomed in window"/> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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288 <param name="xlimmax" type="integer" value="" label="upper boundary in Dalton for plotting window" help="maximum m/z for zoomed in window"/> |
2
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289 </repeat> |
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290 </when> |
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291 </conditional> |
0
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292 </inputs> |
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293 <outputs> |
3
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294 <data format="pdf" name="plots" from_work_dir="mzplots.pdf" label = "$infile.display_name mass_spectra"/> |
0
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295 </outputs> |
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296 <tests> |
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297 <test> |
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298 <param name="infile" value="" ftype="imzml"> |
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299 <composite_data value="Example_Continuous.imzML"/> |
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300 <composite_data value="Example_Continuous.ibd"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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301 </param> |
2
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302 <conditional name="pixel_conditional"> |
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303 <param name="pixel_type" value="single_pixel"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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304 <repeat name="repeatpixel"> |
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305 <param name="plusminusinDalton" value="0.25"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
306 <param name="inputx" value="3"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
307 <param name="inputy" value="3"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
308 <repeat name="zoomedplot"> |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
309 <param name="xlimmin" value="310"/> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
310 <param name="xlimmax" value="320"/> |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
311 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
312 <repeat name="zoomedplot"> |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
313 <param name="xlimmin" value="350"/> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
314 <param name="xlimmax" value="400"/> |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
315 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
316 <repeat name="zoomedplot"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
317 <param name="xlimmin" value="400"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
318 <param name="xlimmax" value="420"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
319 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
320 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
321 <repeat name="repeatpixel"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
322 <param name="plusminusinDalton" value="0.25"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
323 <param name="inputx" value="2"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
324 <param name="inputy" value="2"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
325 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
326 <repeat name="repeatpixel"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
327 <param name="plusminusinDalton" value="0.25"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
328 <param name="inputx" value="1"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
329 <param name="inputy" value="1"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
330 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
331 </conditional> |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
332 <output name="plots" file="Plot_imzml.pdf" compare="sim_size" delta="20000"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
333 </test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
334 <test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
335 <param name="infile" value="" ftype="analyze75"> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
336 <composite_data value="Analyze75.hdr"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
337 <composite_data value="Analyze75.img"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
338 <composite_data value="Analyze75.t2m"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
339 </param> |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
340 <conditional name="pixel_conditional"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
341 <param name="pixel_type" value="single_pixel"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
342 <repeat name="repeatpixel"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
343 <param name="plusminusinDalton" value="0.25"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
344 <param name="inputx" value="5"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
345 <param name="inputy" value="2"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
346 <repeat name="zoomedplot"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
347 <param name="xlimmin" value="840"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
348 <param name="xlimmax" value="850"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
349 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
350 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
351 <repeat name="repeatpixel"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
352 <param name="plusminusinDalton" value="0.25"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
353 <param name="inputx" value="2"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
354 <param name="inputy" value="2"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
355 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
356 </conditional> |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
357 <output name="plots" file="Plot_analyze75.pdf" compare="sim_size" delta="20000"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
358 </test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
359 <test> |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
360 <param name="infile" value="123_combined.RData" ftype="rdata"/> |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
361 <conditional name="pixel_conditional"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
362 <param name="pixel_type" value="sample_pixel"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
363 <repeat name="zoomed_sample"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
364 <param name="xlimmin" value="350"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
365 <param name="xlimmax" value="360"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
366 </repeat> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
367 </conditional> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
368 <output name="plots" file="Plot_rdata.pdf" compare="sim_size" delta="20000"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
369 </test> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
370 <test> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
371 <param name="infile" value="empty_spectra.rdata" ftype="rdata"/> |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
372 <param name="plusminusinDalton" value="0.1"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
373 <param name="inputx" value="1"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
374 <param name="inputy" value="1"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
375 <repeat name="repeatpixel"> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
376 <param name="plusminusinDalton" value="0.25"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
377 <param name="inputx" value="2"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
378 <param name="inputy" value="2"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
379 <repeat name="zoomedplot"> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
380 <param name="xlimmin" value="1000"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
381 <param name="xlimmax" value="1050"/> |
c93ae3463b30
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382 </repeat> |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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383 </repeat> |
2
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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384 <output name="plots" file="Plot_empty_spectra.pdf" compare="sim_size" delta="20000"/> |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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385 </test> |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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386 </tests> |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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387 <help><![CDATA[ |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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388 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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389 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_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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390 |
3
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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391 This tool uses the Cardinal plot function to generate (zoomed in) mass spectra plots of mass spectrometry imaging data. |
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392 |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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393 Input data: 3 types of input data can be used: |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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394 |
2
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395 - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/wp/imzml/>`_ |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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396 - Analyze7.5 (upload hdr, img and t2m file via the "composite" function) |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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397 - Cardinal "MSImageSet" data (with variable name "msidata", saved as .RData) |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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398 |
2
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399 Options: |
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400 |
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401 - "single pixel": Returns a full mass spectrum plot for one pixel, which is defined by its x- and y-coordinates |
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402 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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403 - Enter the x and y coordinates of your pixel of interest |
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404 - To have a visual control for the selected pixel, a heatmap of a m/z of interest will be drawn. Two intersecting lines will show the pixel location. This procedure requires an m/z of interest together with a m/z range and for the lines the colour and type. |
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405 - Additionally zoom into mass spectra plots is possible by providing the minimum and maximum m/z value to define the limits of the plot |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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406 - "All pixels of a sample": Returns a full average mass spectrum plot with different colours for each subfile |
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407 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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408 - This option only works on files that have previosly been combined in the combine tool |
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409 - Additionally zoom into mass spectra plots is possible by providing the minimum and maximum m/z value to define the limits of the plot |
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410 |
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411 Output: |
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412 |
3
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413 - Pdf with the selected mass spectra plots and additional control plots |
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414 |
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415 Tip: |
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416 |
3
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417 - Corresponding mass spectra with m/z intensity pairs as tabular output can be obtained with the filtering tool option "ranges for x and y" |
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418 |
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419 |
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420 ]]> |
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421 </help> |
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422 <citations> |
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423 <citation type="doi">10.1093/bioinformatics/btv146</citation> |
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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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424 </citations> |
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425 </tool> |