Mercurial > repos > galaxyp > cardinal_mz_images
diff macros.xml @ 7:5e6f8fb2df07 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/cardinal commit f986c51abe33c7f622d429a3c4a79ee24b33c1f3"
author | galaxyp |
---|---|
date | Thu, 23 Apr 2020 08:08:28 -0400 |
parents | 25b83cbd596a |
children | a69865da6f80 |
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--- a/macros.xml Wed Mar 25 05:31:15 2020 -0400 +++ b/macros.xml Thu Apr 23 08:08:28 2020 -0400 @@ -1,10 +1,10 @@ <macros> - <token name="@VERSION@">1.12.1</token> + <token name="@VERSION@">2.4.0</token> <xml name="requirements"> <requirements> <requirement type="package" version="@VERSION@">bioconductor-cardinal</requirement> - <requirement type="package" version="3.5.1">r-base</requirement> + <requirement type="package" version="3.6.1">r-base</requirement> <yield/> </requirements> </xml> @@ -32,15 +32,10 @@ <token name="@READING_MSIDATA@"><![CDATA[ ## importing MSI data files - ## function to read RData files independent of filename - loadRData <- function(fileName){ - load(fileName) - get(ls()[ls() != "fileName"]) - } - #if $infile.ext == 'imzml' #if str($processed_cond.processed_file) == "processed": - msidata <- readImzML('infile', mass.accuracy=$processed_cond.accuracy, units.accuracy = "$processed_cond.units", attach.only=TRUE) + msidata <- readImzML('infile', resolution=$processed_cond.accuracy, attach.only=TRUE, units = "$processed_cond.units") + msidata = collect(msidata, as.matrix=TRUE) ##coercion to continuous centroided(msidata) = $centroids #else msidata <- readImzML('infile', attach.only=TRUE) @@ -50,6 +45,11 @@ msidata = readAnalyze('infile', attach.only=TRUE) centroided(msidata) = $centroids #else + ## function to read RData files independent of filename + loadRData <- function(fileName){ + load(fileName) + get(ls()[ls() != "fileName"]) + } msidata = loadRData('infile.RData') #end if @@ -86,34 +86,34 @@ property_df = data.frame(properties, values) ]]></token> - <token name="@READING_MSIDATA_INRAM@"><![CDATA[ + <token name="@READING_MSIDATA_FULLY_COMPATIBLE@"><![CDATA[ ## importing MSI data files - ## function to read RData files independent of filename - loadRData <- function(fileName){ - load(fileName) - get(ls()[ls() != "fileName"]) - } - #if $infile.ext == 'imzml' #if str($processed_cond.processed_file) == "processed": - msidata <- readImzML('infile', mass.accuracy=$processed_cond.accuracy, units.accuracy = "$processed_cond.units") + msidata <- readImzML('infile', resolution=$processed_cond.accuracy, units = "$processed_cond.units", attach.only=TRUE) centroided(msidata) = $centroids - iData(msidata) = iData(msidata)[] #else - msidata <- readImzML('infile') + msidata <- readImzML('infile', attach.only=TRUE) centroided(msidata) = $centroids #end if #elif $infile.ext == 'analyze75' - msidata = readAnalyze('infile') + msidata = readAnalyze('infile', attach.only=TRUE) centroided(msidata) = $centroids #else + ## function to read RData files independent of filename + loadRData <- function(fileName){ + load(fileName) + get(ls()[ls() != "fileName"]) + } msidata = loadRData('infile.RData') + msidata = as(msidata, "MSImagingExperiment") + run(msidata) = "infile" #end if ]]></token> - <token name="@DATA_PROPERTIES_INRAM@"><![CDATA[ + <token name="@DATA_PROPERTIES_INRAM@"><![CDATA[ ########################### QC numbers ######################## ## including intensity calculations which need data in RAM ## Number of features (mz) @@ -130,17 +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(as.matrix(spectra(msidata)), na.rm=TRUE), digits=2) + maxint = round(max(as.matrix(spectra(msidata)), na.rm=TRUE), digits=2) ## Number of intensities > 0, for if conditions - npeaks= sum(spectra(msidata)>0, na.rm=TRUE) + npeaks= sum(as.matrix(spectra(msidata))>0, na.rm=TRUE) ## 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(as.matrix(spectra(msidata)))) ## Number of duplicated coordinates dupl_coord = sum(duplicated(coord(msidata))) - properties = c("Number of m/z features", "Range of m/z values", "Number of pixels", @@ -298,6 +297,7 @@ <xml name="citations"> <citations> <citation type="doi">10.1093/bioinformatics/btv146</citation> + <citation type="doi">10.1093/gigascience/giz143</citation> </citations> </xml> <xml name="infile_analyze75">