Mercurial > repos > galaxyp > msi_spectra_plot
annotate msi_spectra_plots.xml @ 5:4f13aec6d8ff draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
author | galaxyp |
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date | Fri, 06 Jul 2018 14:14:41 -0400 |
parents | 9eef2792afa4 |
children | 2e0368a6bfe8 |
rev | line source |
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5
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
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1 <tool id="mass_spectrometry_imaging_mzplots" name="MSI plot spectra" version="1.10.0.3"> |
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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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2 <description> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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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
galaxyp
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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
galaxyp
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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
galaxyp
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7 <requirement type="package" version="2.2.1">r-gridextra</requirement> |
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9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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8 <requirement type="package" version="2.2.1">r-ggplot2</requirement> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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9 <requirement type="package" version="0.5.0">r-scales</requirement> |
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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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10 </requirements> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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11 <command detect_errors="exit_code"> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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12 <![CDATA[ |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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13 #if $infile.ext == 'imzml' |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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14 ln -s '${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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15 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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16 #elif $infile.ext == 'analyze75' |
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ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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17 ln -s '${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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18 ln -s '${infile.extra_files_path}/img' infile.img && |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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19 ln -s '${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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20 #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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21 ln -s $infile infile.RData && |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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22 #end if |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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23 cat '${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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24 Rscript '${MSI_mzplots}' |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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25 ]]> |
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 </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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27 <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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28 <configfile name="MSI_mzplots"><![CDATA[ |
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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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29 |
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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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30 ################################# 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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31 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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32 library(Cardinal) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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33 library(gridExtra) |
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9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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34 library(ggplot2) |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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35 library(scales) |
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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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36 |
5
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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37 |
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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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38 #if $infile.ext == 'imzml' |
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4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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39 #if str($processed_cond.processed_file) == "processed": |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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40 msidata <- readImzML('infile', mass.accuracy=$processed_cond.accuracy, units.accuracy = "$processed_cond.units") |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
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41 #else |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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42 msidata <- readImzML('infile', attach.only=TRUE) |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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43 #end if |
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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 #elif $infile.ext == 'analyze75' |
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4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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45 msidata = readAnalyze('infile', attach.only=TRUE) |
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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 #else |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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47 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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48 #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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49 |
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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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50 ###################################### 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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51 |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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52 ## 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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53 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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54 ## 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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55 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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56 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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57 ## 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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58 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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59 ## 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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60 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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61 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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62 ## 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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63 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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64 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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65 ## Range of intensities |
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4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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66 minint = round(min(spectra(msidata)[], na.rm=TRUE), digits=2) |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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67 maxint = round(max(spectra(msidata)[], na.rm=TRUE), digits=2) |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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68 medint = round(median(spectra(msidata)[], na.rm=TRUE), digits=2) |
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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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69 ## Number of intensities > 0 |
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4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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70 npeaks= sum(spectra(msidata)[]>0, na.rm=TRUE) |
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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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71 ## 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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72 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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73 ## 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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74 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
galaxyp
parents:
diff
changeset
|
75 ## Number of empty TICs |
5
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
4
diff
changeset
|
76 TICs = colSums(spectra(msidata)[], na.rm=TRUE) |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
77 NumemptyTIC = sum(TICs == 0) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
78 |
5
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
parents:
4
diff
changeset
|
79 |
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 ## Processing informations |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
81 processinginfo = processingData(msidata) |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
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82 centroidedinfo = processinginfo@centroided |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
83 |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
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changeset
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84 ## if TRUE write processinginfo if FALSE write FALSE |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
85 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
86 ## normalization |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
87 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
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88 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
|
89 } else { |
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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90 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
|
91 } |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
92 ## smoothing |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
93 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:
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changeset
|
94 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
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95 } 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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changeset
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96 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
|
97 } |
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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changeset
|
98 ## baseline |
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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changeset
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99 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:
diff
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100 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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101 } 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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102 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
|
103 } |
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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|
104 ## 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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105 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:
diff
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106 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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107 } 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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108 peakpickinginfo=processinginfo@peakPicking |
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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109 } |
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 |
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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111 properties = c("Number of m/z features", |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
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3
diff
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112 "Range of m/z values", |
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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113 "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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114 "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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115 "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:
diff
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|
116 "Range 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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117 "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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118 "Intensities > 0", |
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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119 "Number of zero TICs", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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120 "Preprocessing", |
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 "Normalization", |
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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122 "Smoothing", |
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 "Baseline reduction", |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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124 "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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125 "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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126 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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127 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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128 paste0(minmz, " - ", maxmz), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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129 paste0(pixelcount), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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130 paste0(minimumx, " - ", maximumx), |
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(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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132 paste0(minint, " - ", maxint), |
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(medint), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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134 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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135 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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136 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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137 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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138 paste0(smoothinginfo), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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139 paste0(baselinereductioninfo), |
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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140 paste0(peakpickinginfo), |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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141 paste0(centroidedinfo)) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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142 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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143 property_df = data.frame(properties, values) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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144 |
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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145 ######################################## PDF ################################### |
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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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146 ################################################################################ |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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147 ################################################################################ |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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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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149 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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150 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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parents:
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151 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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152 #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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153 #set $filename = $infile.display_name |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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154 #end if |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
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155 title(main=paste0("Plotted mass spectra for file: \n\n","$filename")) |
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156 |
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157 |
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158 ############################# I) numbers ###################################### |
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159 ############################################################################### |
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160 |
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161 grid.table(property_df, rows= NULL) |
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162 |
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163 if (npeaks > 0){ |
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164 |
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165 pixeldf = data.frame(matrix(ncol = 2, nrow=0)) |
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166 |
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167 ############################# single pixel ################################ |
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168 ########################################################################### |
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169 |
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170 #if str( $pixel_conditional.pixel_type) == 'single_pixel': |
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171 print("single_pixel") |
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172 |
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173 #for $chosenpixel in $pixel_conditional.repeatpixel: |
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174 |
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175 pixelisvalid = as.character($chosenpixel.inputx %in% coord(msidata)\$x & $chosenpixel.inputy %in% coord(msidata)\$y) |
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176 pixelname = paste0("x=", $chosenpixel.inputx,", ", "y=", $chosenpixel.inputy) |
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177 pixeldf = rbind(pixeldf, cbind(pixelname, pixelisvalid)) |
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178 |
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179 ############################# II) control image #################### |
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180 |
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181 if (pixelisvalid == "TRUE"){ |
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182 print(pixelisvalid) |
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183 |
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184 image(msidata, mz=$chosenpixel.inputmz, ylim = c(maximumy+(0.2*maximumy),minimumy-1), |
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185 colorkey=FALSE, plusminus = $chosenpixel.plusminusinDalton, |
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186 main= paste0("x= ",$chosenpixel.inputx, ", y= ", $chosenpixel.inputy)) |
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187 |
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188 abline(v=$chosenpixel.inputx, col ="$chosenpixel.inputcolour", lty="$chosenpixel.inputtype", lwd=$chosenpixel.inputwidth) |
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189 abline(h=$chosenpixel.inputy, col ="$chosenpixel.inputcolour", lty="$chosenpixel.inputtype", lwd=$chosenpixel.inputwidth) |
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190 |
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191 ##################### III) plot full mass spectrum ################# |
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192 |
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193 plot(msidata, coord=list(x=$chosenpixel.inputx, y=$chosenpixel.inputy)) |
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194 |
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195 ##################### IV) plot zoom-in mass spectrum ############### |
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196 |
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197 #if $chosenpixel.zoomedplot: |
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198 iData(msidata) <- iData(msidata)[] ## getting back data on disk |
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199 |
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200 #for $token in $chosenpixel.zoomedplot: |
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201 |
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202 minmasspixel = features(msidata, mz=$token.xlimmin) |
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203 maxmasspixel = features(msidata, mz=$token.xlimmax) |
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204 |
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205 plot(msidata[minmasspixel:maxmasspixel,], coord=list(x=$chosenpixel.inputx, y=$chosenpixel.inputy), |
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206 xlim= c($token.xlimmin,$token.xlimmax)) |
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207 |
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208 #end for |
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209 #end if |
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210 }else{ |
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211 print("The pixel coordinates did not correspond to a real pixel")} |
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212 #end for |
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213 |
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214 colnames(pixeldf) = c("pixel coordinates", "coordinates were found in this file") |
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215 |
3
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216 ############################# sample pixel ################################ |
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217 ########################################################################### |
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218 |
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219 #elif str( $pixel_conditional.pixel_type) == 'sample_pixel': |
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220 print("sample pixels") |
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221 |
3
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222 ##################### I) Sample: plot full mass spectrum ############## |
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223 |
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224 ## coloured plot with mean over all spectra for combined_sample, otherwise only 1 black plot |
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225 if (!is.null(levels(msidata\$combined_sample))){ |
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226 print("combined samples") |
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227 |
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228 ## overview plot over combined sample, in case more than 10 combined_samples legend has to be taken from this plot |
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229 number_combined = length(levels(msidata\$combined_sample)) |
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230 |
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231 ## the more combined_samples a file has the smaller will be the legend |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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232 if (number_combined<20){ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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233 legend_size = 10 |
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234 }else if (number_combined>20 && number_combined<40){ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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235 legend_size = 9 |
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236 }else if (number_combined>40 && number_combined<60){ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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237 legend_size = 8 |
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238 }else if (number_combined>60 && number_combined<100){ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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239 legend_size = 7 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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240 }else{ |
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241 legend_size = 6 |
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242 } |
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243 |
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244 position_df = cbind(coord(msidata)[,1:2], msidata\$combined_sample) |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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245 colnames(position_df)[3] = "sample_name" |
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246 |
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247 combine_plot = ggplot(position_df, aes(x=x, y=y, fill=sample_name))+ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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248 geom_tile() + |
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249 coord_fixed()+ |
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250 ggtitle("Spatial orientation of combined data")+ |
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251 theme_bw()+ |
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252 theme(plot.title = element_text(hjust = 0.5))+ |
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253 theme(text=element_text(family="ArialMT", face="bold", size=12))+ |
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254 theme(legend.position="bottom",legend.direction="vertical")+ |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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255 theme(legend.key.size = unit(0.2, "line"), legend.text = element_text(size = legend_size))+ |
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256 guides(fill=guide_legend(ncol=5,byrow=TRUE)) |
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257 coord_labels = aggregate(cbind(x,y)~sample_name, data=position_df, mean) |
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258 coord_labels\$file_number = gsub( "_.*$", "", coord_labels\$sample_name) |
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259 for(file_count in 1:nrow(coord_labels)) |
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260 {combine_plot = combine_plot + annotate("text",x=coord_labels[file_count,"x"], |
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261 y=coord_labels[file_count,"y"],label=toString(coord_labels[file_count,4]))} |
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262 |
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263 print(combine_plot) |
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264 |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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265 ## print legend only for less than 10 samples |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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266 if (length(levels(msidata\$combined_sample)) < 10){ |
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267 key_legend = TRUE |
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268 }else{key_legend = FALSE} |
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269 |
5
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270 spectra(msidata) = is.na(spectra(msidata)[]) == 0 ## in case of NA values they will be set to zero |
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271 |
4
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272 plot(msidata, pixel=1:ncol(msidata), pixel.groups=msidata\$combined_sample, key=key_legend, col=hue_pal()(length(levels(msidata\$combined_sample))),superpose=TRUE) |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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273 }else{ |
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274 spectra(msidata) = is.na(spectra(msidata)[]) == 0 ## in case of NA values they will be set to zero |
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275 plot(msidata, pixel=1:ncol(msidata), key=TRUE)} |
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276 |
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277 ##################### II) Sample: plot zoom-in mass spectrum ########## |
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278 |
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279 #if $pixel_conditional.zoomed_sample: |
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280 iData(msidata) <- iData(msidata)[] ## getting back data on disk |
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281 #for $token in $pixel_conditional.zoomed_sample: |
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282 print("zoomed sample pixels") |
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283 |
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284 minmasspixel = features(msidata, mz=$token.xlimmin) |
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285 maxmasspixel = features(msidata, mz=$token.xlimmax) |
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286 |
4
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287 ## coloured plot with mean over all spectra for combined_sample, otherwise only 1 black plot |
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288 if (!is.null(levels(msidata\$combined_sample))){ |
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289 print("combined samples") |
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290 plot(msidata[minmasspixel:maxmasspixel,], pixel=1:ncol(msidata), |
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291 xlim= c($token.xlimmin,$token.xlimmax),pixel.groups=msidata\$combined_sample, |
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292 key=key_legend,col=hue_pal()(length(levels(msidata\$combined_sample))), superpose=TRUE) |
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293 }else{ |
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294 plot(msidata[minmasspixel:maxmasspixel,], pixel=1:ncol(msidata), key=TRUE, xlim= c($token.xlimmin,$token.xlimmax))} |
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295 |
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296 #end for |
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297 #end if |
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298 |
4
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299 if (!is.null(levels(msidata\$combined_sample))){ |
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300 pixeldf = data.frame(table(msidata\$combined_sample)) |
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301 }else{ |
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302 pixeldf = data.frame("$filename", ncol(msidata))} |
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303 colnames(pixeldf) = c("sample name", "number of pixels") |
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304 |
2
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305 #end if |
0
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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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306 |
5
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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307 |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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308 ############################# pixel table ###################################### |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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309 ############################################################################### |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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310 |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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311 |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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312 ### overview table of pixels or samples: |
0
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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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313 plot(0,type='n',axes=FALSE,ann=FALSE) |
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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314 title(main="Overview of chosen pixel:") |
4
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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315 |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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316 ### for more than 20 combined samples print only 20 samples per page: |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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317 if (is.null(levels(msidata\$combined_sample))){ |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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318 grid.table(pixeldf, rows= NULL) |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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319 }else if (length(levels(msidata\$combined_sample)) <= 20){ |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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320 grid.table(pixeldf, rows= NULL) |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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321 }else{ |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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322 grid.table(pixeldf[1:20,], rows= NULL) |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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323 mincount = 21 |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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324 maxcount = 40 |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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325 for (count20 in 1:(ceiling(nrow(pixeldf)/20)-1)){ |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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326 plot(0,type='n',axes=FALSE,ann=FALSE) |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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327 if (maxcount <= nrow(pixeldf)){ |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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328 grid.table(pixeldf[mincount:maxcount,], rows= NULL) |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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329 mincount = mincount+20 |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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330 maxcount = maxcount+20 |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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331 }else{### stop last page with last sample otherwise NA in table |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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332 grid.table(pixeldf[mincount:nrow(pixeldf),], rows= NULL)} |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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333 } |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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334 } |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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335 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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336 dev.off() |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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337 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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338 }else{ |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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339 print("Inputfile has no intensities > 0") |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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340 dev.off() |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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341 } |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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342 ]]></configfile> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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343 </configfiles> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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344 <inputs> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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345 <param name="infile" type="data" format="imzml,rdata,analyze75" label="Inputfile as imzML, Analyze7.5 or Cardinal MSImageSet saved as RData" |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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346 help="Upload composite datatype imzml (ibd+imzML) or analyze75 (hdr+img+t2m) or regular upload .RData (Cardinal MSImageSet)"/> |
5
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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347 <conditional name="processed_cond"> |
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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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348 <param name="processed_file" type="select" label="Is the input file a processed imzML file "> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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349 <option value="no_processed" selected="True">not a processed imzML</option> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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350 <option value="processed">processed imzML</option> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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351 </param> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
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352 <when value="no_processed"/> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
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353 <when value="processed"> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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354 <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"/> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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355 <param name="units" display="radio" type="select" label="Unit of the mass accuracy" help="either m/z or ppm"> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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356 <option value="mz" >mz</option> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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357 <option value="ppm" selected="True" >ppm</option> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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358 </param> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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359 </when> |
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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360 </conditional> |
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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361 <param name="filename" type="text" value="" label="Title" help="will appear in the pdf output. If nothing given it will take the dataset name"/> |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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362 <conditional name="pixel_conditional"> |
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4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
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363 <param name="pixel_type" type="select" label="Select if you want to plot the mass spectrum of a single pixel or the average spectrum of all pixels of a sample"> |
2
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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364 <option value="single_pixel" selected="True">Single pixel</option> |
5
4f13aec6d8ff
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 8087490eb4dcaf4ead0f03eae4126780d21e5503
galaxyp
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365 <option value="sample_pixel">Average spectrum for each sample</option> |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
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366 </param> |
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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367 <when value="single_pixel"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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368 <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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369 <param name="inputx" type="integer" value="" label="x-coordinate of pixel of interest" help="x-value of the pixel of interest"/> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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370 <param name="inputy" type="integer" value="" label="y-coordinate of pixel of interest" help="y-value of the pixel of interest"/> |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
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371 <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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372 <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
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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1
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373 <param name="inputcolour" type="select" label="select the colour for the lines at x and y position"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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374 <option value="white" selected="True">white</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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375 <option value="black">black</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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376 <option value="grey">grey</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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377 <option value="blue">blue</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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378 <option value="red">red</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
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379 <option value="green">green</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
380 </param> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
381 <param name="inputtype" type="select" label="select the line type for the lines at x and y position"> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
382 <option value="solid" selected="True">solid</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
383 <option value="dashed">dashed</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
384 <option value="dotted">dotted</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
385 <option value="longdash">longdash</option> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
386 </param> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
387 <param name="inputwidth" type="integer" value="2" label="select the width of the lines at x and y position"/> |
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
|
388 <repeat name="zoomedplot" title="Zoomed in plots with m/z min and m/z max to define the plot window" min="0" max="50"> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
389 <param name="xlimmin" type="integer" value="" label="lower boundary in Dalton for plotting window" help="minimum m/z for zoomed in window"/> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
390 <param name="xlimmax" type="integer" value="" label="upper boundary in Dalton for plotting window" help="maximum m/z for zoomed in window"/> |
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
|
391 </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
|
392 </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
|
393 </when> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
394 <when value="sample_pixel"> |
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
|
395 <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"> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
396 <param name="xlimmin" type="integer" value="" label="lower boundary in Dalton for plotting window" help="minimum m/z for zoomed in window"/> |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
397 <param name="xlimmax" type="integer" value="" label="upper boundary in Dalton for plotting window" help="maximum m/z for zoomed in window"/> |
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
|
398 </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
|
399 </when> |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
400 </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
|
401 </inputs> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
402 <outputs> |
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
|
403 <data format="pdf" name="plots" from_work_dir="mzplots.pdf" label = "$infile.display_name mass_spectra"/> |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
404 </outputs> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
405 <tests> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
406 <test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
407 <param name="infile" value="" ftype="imzml"> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
408 <composite_data value="Example_Continuous.imzML"/> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
409 <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
galaxyp
parents:
diff
changeset
|
410 </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
|
411 <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
|
412 <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
|
413 <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
|
414 <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
|
415 <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
|
416 <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
|
417 <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
|
418 <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
|
419 <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
|
420 </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
|
421 <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
|
422 <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
|
423 <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
|
424 </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
|
425 <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
|
426 <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
|
427 <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
|
428 </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
|
429 </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
|
430 <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
|
431 <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
|
432 <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
|
433 <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
|
434 </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
|
435 <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
|
436 <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
|
437 <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
|
438 <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
|
439 </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
|
440 </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
|
441 <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
|
442 </test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
443 <test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
444 <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
|
445 <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
|
446 <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
|
447 <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
|
448 </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
|
449 <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
|
450 <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
|
451 <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
|
452 <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
|
453 <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
|
454 <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
|
455 <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
|
456 <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
|
457 <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
|
458 </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
|
459 </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
|
460 <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
|
461 <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
|
462 <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
|
463 <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
|
464 </repeat> |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
465 </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
|
466 <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
|
467 </test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
468 <test> |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
469 <param name="infile" value="" ftype="analyze75"> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
470 <composite_data value="Analyze75.hdr"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
471 <composite_data value="Analyze75.img"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
472 <composite_data value="Analyze75.t2m"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
473 </param> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
474 <conditional name="pixel_conditional"> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
475 <param name="pixel_type" value="sample_pixel"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
476 <repeat name="zoomed_sample"> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
477 <param name="xlimmin" value="1250"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
478 <param name="xlimmax" value="1270"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
479 </repeat> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
480 </conditional> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
481 <output name="plots" file="Plot_analyze75_allpixels.pdf" compare="sim_size" delta="20000"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
482 </test> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
483 <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
|
484 <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
|
485 <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
|
486 <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
|
487 <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
|
488 <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
|
489 <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
|
490 </repeat> |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
491 </conditional> |
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
|
492 <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
|
493 </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
|
494 <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
|
495 <param name="infile" value="empty_spectra.rdata" ftype="rdata"/> |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
496 <conditional name="pixel_conditional"> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
497 <param name="pixel_type" value="single_pixel"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
498 <repeat name="repeatpixel"> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
499 <param name="plusminusinDalton" value="0.1"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
500 <param name="inputx" value="1"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
501 <param name="inputy" value="1"/> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
502 </repeat> |
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
503 </conditional> |
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
|
504 <output name="plots" file="Plot_empty_spectra.pdf" compare="sim_size" delta="20000"/> |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
505 </test> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
506 </tests> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
507 <help><![CDATA[ |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
508 |
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
|
509 Cardinal is an R package that implements statistical & computational tools for analyzing mass spectrometry imaging datasets. `More information on Cardinal <http://cardinalmsi.org//>`_ |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
510 |
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
|
511 This tool uses the Cardinal plot function to generate (zoomed in) mass spectra plots of mass spectrometry imaging data. |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
512 |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
513 Input data: 3 types of input data can be used: |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
514 |
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
|
515 - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/wp/imzml/>`_ |
0
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
516 - Analyze7.5 (upload hdr, img and t2m file via the "composite" function) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
517 - Cardinal "MSImageSet" data (with variable name "msidata", saved as .RData) |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
parents:
diff
changeset
|
518 |
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
|
519 Options: |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
520 |
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
|
521 - "single pixel": Returns a full mass spectrum plot for one pixel, which is defined by its x- and y-coordinates |
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
|
522 |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
|
523 - Enter the x and y coordinates of your pixel of interest |
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
|
524 - 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. |
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
2
diff
changeset
|
525 - Additionally zoom into mass spectra plots is possible by providing the minimum and maximum m/z value to define the limits of the plot |
4
9eef2792afa4
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents:
3
diff
changeset
|
526 - "All pixels of a sample": Returns a full average mass spectrum plot with different colours for the sample/each combined sample |
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
|
527 |
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
|
528 - Additionally zoom into mass spectra plots is possible by providing the minimum and maximum m/z value to define the limits of the plot |
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
|
529 |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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changeset
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530 Output: |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
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1
diff
changeset
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531 |
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
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532 - Pdf with the selected mass spectra plots and additional control plots |
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
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533 |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
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534 Tip: |
ea4f1c516368
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents:
1
diff
changeset
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535 |
3
fe28ca73548a
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_spectra_plots commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents:
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diff
changeset
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536 - Corresponding mass spectra with m/z intensity pairs as tabular output can be obtained with the filtering tool option "ranges for x and y" |
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
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537 |
0
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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538 |
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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539 ]]> |
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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540 </help> |
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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541 <citations> |
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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542 <citation type="doi">10.1093/bioinformatics/btv146</citation> |
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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543 </citations> |
c93ae3463b30
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_spectra_plot commit 6d271de132f364b1e16b0222ad2d6e315586f0dd
galaxyp
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544 </tool> |