Mercurial > repos > galaxyp > cardinal_combine
changeset 4:c1231933bfd6 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/cardinal commit ecdc3a64aa245d80dbc5487b2bf10a85a43adc6d
author | galaxyp |
---|---|
date | Fri, 22 Mar 2019 08:09:07 -0400 |
parents | 1ba687b2b748 |
children | 8563ef53288b |
files | combine.xml macros.xml static/images/classification_overview.png test-data/Example_Processed.imzML test-data/QC_analyze75.pdf test-data/QC_empty_spectra.pdf test-data/QC_imzml.pdf test-data/QC_rdata.pdf test-data/features_test2.tabular test-data/features_test4.tabular test-data/features_test6.tabular test-data/features_test7.tabular test-data/test1.pdf test-data/test2.pdf test-data/test2.rdata test-data/test3.pdf test-data/test4.pdf test-data/test4.rdata test-data/test5.pdf test-data/test6.pdf test-data/test6.rdata test-data/test7.pdf test-data/test7.rdata |
diffstat | 23 files changed, 32701 insertions(+), 391 deletions(-) [+] |
line wrap: on
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--- a/combine.xml Thu Feb 28 09:21:30 2019 -0500 +++ b/combine.xml Fri Mar 22 08:09:07 2019 -0400 @@ -1,4 +1,4 @@ -<tool id="cardinal_combine" name="MSI combine" version="@VERSION@.2"> +<tool id="cardinal_combine" name="MSI combine" version="@VERSION@.3"> <description> combine several mass spectrometry imaging datasets into one </description> @@ -155,6 +155,7 @@ coord(msidata_$i)\$y = as.integer(coord(msidata_$i)\$y + input_list[$i+1,$combine_conditional.column_y]) ## shifts y coordinates according to tabular file pixel_vector = append(pixel_vector, rep(paste($i+1, input_list[$i+1,$combine_conditional.column_names], sep="_"),times=ncol(msidata_$i))) ## stores file name for each pixel msidata_$i\$combined_sample = rep(paste($i+1, input_list[$i+1,$combine_conditional.column_names], sep="_"),times=ncol(msidata_$i)) + ## store number of file pixelcoords_$i = cbind(coord(msidata_$i)[,1:2], rep($i+1,ncol(msidata_$i))) #silent $pixelcoords.append('pixelcoords_'+str($i)) colnames(pixelcoords_$i)[3] = "file_number" @@ -253,6 +254,7 @@ msidata_combined = do.call(combine, datasetlist) msidata = msidata_combined + ## save msidata as imzML file #if str($imzml_output) == "imzml_format": writeImzML(msidata, "out") @@ -410,13 +412,13 @@ </configfiles> <inputs> <param name="infiles" type="data" multiple="true" format="imzml,rdata,analyze75" - label="MSI data as imzml, analyze7.5 or Cardinal MSImageSet saved as RData" - help="load imzml and ibd file by uploading composite datatype imzml"/> - <param name="centroids" type="boolean" label="Is the input data centroided (picked)" help="Choose Yes if peak detection has already been done." truevalue="TRUE" falsevalue="FALSE"/> + label="MSI data" + help="Input file as imzML (composite upload), Analyze7.5 (composite upload) or Cardinal MSImageSet saved as RData (regular upload)"/> + <param name="centroids" type="boolean" label="Centroided input" help="Choose Yes if peak detection has already been done." truevalue="TRUE" falsevalue="FALSE"/> <conditional name="processed_cond"> - <param name="processed_file" type="select" label="Is the input file a processed imzML file "> - <option value="no_processed" selected="True">not a processed imzML</option> - <option value="processed">processed imzML</option> + <param name="processed_file" type="select" label="Processed imzML file" help="Choose no if your input is an Analyze7.5 or continuous imzML file"> + <option value="no_processed" selected="True">no</option> + <option value="processed">yes</option> </param> <when value="no_processed"/> <when value="processed"> @@ -457,8 +459,8 @@ </conditional> <param name="imzml_output" type="select" display = "radio" optional = "False" label="Output format" help= "Choose the output format"> - <option value="imzml_format" selected="True">imzML</option> - <option value="rdata_format">RData</option> + <option value="imzml_format">imzML</option> + <option value="rdata_format" selected="True" >RData</option> </param> </inputs> <outputs>
--- a/macros.xml Thu Feb 28 09:21:30 2019 -0500 +++ b/macros.xml Fri Mar 22 08:09:07 2019 -0400 @@ -99,6 +99,7 @@ #if str($processed_cond.processed_file) == "processed": msidata <- readImzML('infile', mass.accuracy=$processed_cond.accuracy, units.accuracy = "$processed_cond.units") centroided(msidata) = $centroids + iData(msidata) = iData(msidata)[] #else msidata <- readImzML('infile') centroided(msidata) = $centroids @@ -129,14 +130,16 @@ minimumy = min(coord(msidata)[,2]) maximumy = max(coord(msidata)[,2]) ## Range of intensities - minint = round(min(spectra(msidata)[], na.rm=TRUE), digits=2) - maxint = round(max(spectra(msidata)[], na.rm=TRUE), digits=2) + minint = round(min(spectra(msidata), na.rm=TRUE), digits=2) + maxint = round(max(spectra(msidata), na.rm=TRUE), digits=2) ## Number of intensities > 0, for if conditions - npeaks= sum(spectra(msidata)[]>0, na.rm=TRUE) + npeaks= sum(spectra(msidata)>0, na.rm=TRUE) + ## Number of NA in spectra matrix + NAcount = sum(is.na(spectra(msidata))) ## Number of NA in spectra matrix - NAcount = sum(is.na(spectra(msidata)[])) - ## Number of NA in spectra matrix - infcount = sum(is.infinite(spectra(msidata)[])) + infcount = sum(is.infinite(spectra(msidata))) + ## Number of duplicated coordinates + dupl_coord = sum(duplicated(coord(msidata))) properties = c("Number of m/z features", "Range of m/z values", @@ -145,7 +148,8 @@ "Range of y coordinates", "Range of intensities", "Number of NA intensities", - "Number of Inf intensities") + "Number of Inf intensities", + "Number of duplicated coordinates") values = c(paste0(maxfeatures), paste0(minmz, " - ", maxmz), @@ -154,7 +158,8 @@ paste0(minimumy, " - ", maximumy), paste0(minint, " - ", maxint), paste0(NAcount), - paste0(infcount)) + paste0(infcount), + paste0(dupl_coord)) property_df = data.frame(properties, values) ]]></token> @@ -229,7 +234,7 @@ <xml name="reading_msidata"> <param name="infile" type="data" format="imzml,rdata,analyze75" label="MSI data" - help="Input file as imzML (composite upload), or Cardinal MSImageSet saved as RData (regular upload)"/> + help="Input file as imzML (composite upload), Analyze7.5 (composite upload) or Cardinal MSImageSet saved as RData (regular upload)"/> <param name="centroids" type="boolean" label="Centroided input" help="Choose Yes if peak detection has already been done." truevalue="TRUE" falsevalue="FALSE"/> <conditional name="processed_cond"> <param name="processed_file" type="select" label="Processed imzML file" help="Choose no if your input is an Analyze7.5 or continuous imzML file">
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