changeset 0:de334e98f1c1 draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/cardinal commit 0825a4ccd3ebf4ca8a298326d14f3e7b25ae8415
author galaxyp
date Mon, 01 Oct 2018 01:01:41 -0400
parents
children 45fb4dd8400b
files macros.xml spectra_plots.xml test-data/112_annotation_output.tabular test-data/112_auto_combined.RData test-data/112_auto_combined_QC.pdf test-data/123_annotation.tabular test-data/123_annotation_output.tabular test-data/123_combined.RData test-data/123_combined_QC.pdf test-data/12_annotation_output.tabular test-data/12_combined.RData test-data/12_combined_QC.pdf test-data/2123_annotation_output.tabular test-data/2123_auto_combined.RData test-data/2123_auto_combined_QC.pdf test-data/3_files_combined.RData test-data/Analyze75.hdr test-data/Analyze75.img test-data/Analyze75.t2m test-data/Example_Continuous.ibd test-data/Example_Continuous.imzML test-data/Example_Processed.ibd test-data/Example_Processed.imzML test-data/Heatmaps_LM8_file16.pdf test-data/Heatmaps_analyze75.pdf test-data/Heatmaps_imzml.pdf test-data/Heatmaps_rdata.pdf test-data/Plot_analyze75.pdf test-data/Plot_analyze75_allpixels.pdf test-data/Plot_empty_spectra.pdf test-data/Plot_imzml.pdf test-data/Plot_rdata.pdf test-data/QC_analyze75.pdf test-data/QC_empty_spectra.pdf test-data/QC_imzml.pdf test-data/QC_rdata.pdf test-data/analyze75.svg test-data/analyze75_filtered2.pdf test-data/analyze_filtered.RData test-data/analyze_filtered.pdf test-data/analyze_filteredoutside.RData test-data/analyze_originaloutput.RData test-data/analyze_originaloutput2.RData test-data/annotations.tabular test-data/annotations_file1.tabular test-data/annotations_file2.tabular test-data/annotations_file3.tabular test-data/annotations_rdata.tabular test-data/centroids_rdata.pdf test-data/classes_ssc.tabular test-data/cluster_skm.RData test-data/cluster_skm.tabular test-data/empty_spectra.rdata test-data/features_out1.tabular test-data/features_out3.tabular test-data/features_test1.tabular test-data/features_test2.tabular test-data/features_test3.tabular test-data/features_test4.tabular test-data/features_test5.tabular test-data/features_test6.tabular test-data/features_test7.tabular test-data/featuresofinterest5.tabular test-data/imzml_filtered.RData test-data/imzml_filtered.pdf test-data/imzml_filtered2.RData test-data/imzml_filtered2.pdf test-data/imzml_filtered3.RData test-data/imzml_filtered3.pdf test-data/imzml_filtered4.RData test-data/imzml_filtered4.pdf test-data/imzml_filtered5.RData test-data/imzml_filtered5.pdf test-data/inputcalibrantfile1.tabular test-data/inputcalibrantfile2.txt test-data/inputpeptides.tabular test-data/inputpeptides2.tabular test-data/inputpixels_2column.tabular test-data/int_matrix1.tabular test-data/int_matrix3.tabular test-data/kmeans_analyze.pdf test-data/loadings_pca.tabular test-data/mean_out2.tabular test-data/msidata_1.RData test-data/msidata_2.RData test-data/msidata_3.RData test-data/pca_imzml.pdf test-data/pixel_annotation_file1.tabular test-data/pixel_out2.tabular test-data/pixel_out3.tabular test-data/pixels_test1.tabular test-data/pixels_test2.tabular test-data/pixels_test3.tabular test-data/pixels_test4.tabular test-data/pixels_test5.tabular test-data/pixels_test6.tabular test-data/pixels_test7.tabular test-data/preprocessed.RData test-data/preprocessed.rdata test-data/preprocessing_results1.RData test-data/preprocessing_results1.pdf test-data/preprocessing_results1.txt test-data/preprocessing_results2.RData test-data/preprocessing_results2.pdf test-data/preprocessing_results2.txt test-data/preprocessing_results3.RData test-data/preprocessing_results3.pdf test-data/preprocessing_results4.RData test-data/preprocessing_results4.pdf test-data/preprocessing_results4.txt test-data/preprocessing_results5.RData test-data/preprocessing_results5.pdf test-data/preprocessing_results5.txt test-data/random_factors.tabular test-data/rdata_notfiltered.RData test-data/rdata_notfiltered.pdf test-data/scores_pca.tabular test-data/sd_out2.tabular test-data/spectra_info_123_combi.txt test-data/spectra_info_imzml.txt test-data/tabular_LM8file16.tabular test-data/tabular_analyze75.tabular test-data/tabular_imzml.tabular test-data/tabular_rdata.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 test-data/testfile_squares.rdata test-data/toplabels_skm.tabular test-data/toplabels_ssc.tabular test-data/xy_coordinates.tabular
diffstat 132 files changed, 16103 insertions(+), 0 deletions(-) [+]
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,236 @@
+<macros>
+    <token name="@VERSION@">1.12.1</token>
+
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="@VERSION@">bioconductor-cardinal</requirement>
+            <yield/>
+        </requirements>
+    </xml>
+
+    <token name="@INPUT_LINKING@"><![CDATA[
+        #if $infile.ext == 'imzml'
+            ln -s '${infile.extra_files_path}/imzml' infile.imzML &&
+            ln -s '${infile.extra_files_path}/ibd' infile.ibd &&
+        #elif $infile.ext == 'analyze75'
+            ln -s '${infile.extra_files_path}/hdr' infile.hdr &&
+            ln -s '${infile.extra_files_path}/img' infile.img &&
+            ln -s '${infile.extra_files_path}/t2m' infile.t2m &&
+        #else
+            ln -s $infile infile.RData &&
+        #end if
+    ]]></token>
+
+
+    <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")
+                centroided(msidata) = $centroids
+            #else
+                msidata <- readImzML('infile')
+                centroided(msidata) = $centroids
+            #end if
+        #elif $infile.ext == 'analyze75'
+            msidata = readAnalyze('infile')
+            centroided(msidata) = $centroids
+        #else
+            msidata = loadRData('infile.RData')
+        #end if
+
+    ]]></token>
+
+    <token name="@DATA_PROPERTIES@"><![CDATA[
+        ## Number of features (mz)
+        maxfeatures = length(features(msidata))
+        ## Range mz
+        minmz = round(min(mz(msidata)), digits=2)
+        maxmz = round(max(mz(msidata)), digits=2)
+        ## Number of spectra (pixels)
+        pixelcount = length(pixels(msidata))
+        ## Range x coordinates
+        minimumx = min(coord(msidata)[,1])
+        maximumx = max(coord(msidata)[,1])
+        ## Range y coordinates
+        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)
+        ## Number of intensities > 0, for if conditions
+        npeaks= sum(spectra(msidata)[]>0, na.rm=TRUE)
+
+        properties = c("Number of m/z features",
+                       "Range of m/z values",
+                       "Number of pixels", 
+                       "Range of x coordinates", 
+                       "Range of y coordinates",
+                       "Range of intensities")
+
+        values = c(paste0(maxfeatures), 
+                   paste0(minmz, " - ", maxmz), 
+                   paste0(pixelcount), 
+                   paste0(minimumx, " - ", maximumx),  
+                   paste0(minimumy, " - ", maximumy), 
+                   paste0(minint, " - ", maxint))
+
+        property_df = data.frame(properties, values)
+    ]]></token>
+
+    <token name="@CARDINAL_DESCRIPTION@"><![CDATA[
+        Cardinal is an R package that implements statistical & computational tools for analyzing mass spectrometry imaging datasets.
+        `More information on Cardinal <http://cardinalmsi.org/>`_
+    ]]></token>
+    <token name="@MSIDATA_INPUT_DESCRIPTION@"><![CDATA[
+        **Input data**
+
+        - MSI data: 3 types of input data can be used:
+
+            - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/wp/imzml/>`_
+            - Analyze7.5 (upload hdr, img and t2m file via the "composite" function)
+            - Cardinal "MSImageSet" data saved as .RData
+    ]]></token>
+    <token name="@MZ_TABULAR_INPUT_DESCRIPTION@"><![CDATA[
+        - Optional tabular file with m/z values: 
+
+            - One column with numeric m/z values (without empty fields or letters)
+            - The file is allowed to have any column names as header (in this case set "Tabular file contains a header line" to yes)
+            - m/z features outside the m/z range of the input file are ignored 
+
+
+                ::
+            
+                            m/z    
+                          100.0    
+                          100.01   
+                          100.02   
+                           ...
+                           ...    
+
+    ]]></token>
+    <token name="@MZ_2COLS_TABULAR_INPUT_DESCRIPTION@"><![CDATA[
+        - Tabular file with m/z values: 
+
+            - One column with numeric m/z values (without empty fields or letters), another column with names for the m/z (m/z column can also be used as name)
+            - The file is allowed to have any column names as header (in this case set "Tabular file contains a header line" to yes)
+            - m/z features outside the m/z range of the input file are ignored 
+
+
+                ::
+             
+                            m/z        name
+                          100.0      analyte1
+                          100.01     analyte2
+                          100.02     analyte3
+                           ...
+                           ...    
+
+    ]]></token>
+    <token name="@SPECTRA_TABULAR_INPUT_DESCRIPTION@"><![CDATA[
+        - Optional file with pixel coordinates and annotation: 
+
+            - Tabular file: One column with x values, one column wiht y values and one column with annotations
+            - The file is allowed to have any column names as header (in this case set "Tabular file contains a header line" to yes)
+            - Pixel with coordinates outside the coordinates of the input file are ignored 
+
+                ::
+
+                      x_coord     y_coord    annotation
+                        1            1        healthy
+                        2            1        healthy
+                        3            1        disease
+                        ...
+                        ...
+
+    ]]></token>
+
+    <xml name="reading_msidata">
+        <param name="infile" type="data" format="imzml,rdata,analyze75"
+               label="Input file as imzML, Analyze7.5 or Cardinal MSImageSet saved as RData"
+                help="Upload composite datatype imzML (ibd+imzML) or analyze75 (hdr+img+t2m) or regular upload .RData (Cardinal MSImageSet)"/>
+        <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"/>
+        <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">
+                <option value="no_processed" selected="True">no</option>
+                <option value="processed">yes</option>
+            </param>
+            <when value="no_processed"/>
+            <when value="processed">
+                <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"/>
+                <param name="units" display="radio" type="select" label="Unit of the mass accuracy" help="either m/z or ppm">
+                    <option value="mz" >mz</option>
+                    <option value="ppm" selected="True" >ppm</option>
+                </param>
+            </when>
+        </conditional>
+    </xml>
+
+    <xml name="pdf_filename">
+        <param name="filename" type="text" value="" label="Title" help="Will appear in the pdf output, if nothing given it will take the dataset name">
+            <sanitizer invalid_char="">
+                <valid initial="string.ascii_letters,string.digits">
+                    <add value="_" />
+                </valid>
+            </sanitizer>
+        </param>
+    </xml>
+
+    <xml name="sanitizer_multiple_digits">
+        <sanitizer invalid_char="">
+            <valid initial="string.digits">
+                <add value=":" />
+                <add value="," />
+            </valid>
+        </sanitizer>
+    </xml>
+
+    <xml name="reading_1_column_mz_tabular" token_label="Tabular file with m/z features">
+        <param name="mz_tabular" type="data" format="tabular" label="@LABEL@" help="Only numeric m/z values are allowed"/>
+        <param name="feature_column" data_ref="mz_tabular" label="Column with features" type="data_column"/>
+        <param name="feature_header" type="boolean" label="Tabular file contains a header line" truevalue="TRUE" falsevalue="FALSE"/>
+    </xml>
+
+    <xml name="reading_2_column_mz_tabular">
+        <param name="calibrant_file" type="data" optional="true" format="tabular"
+            label="m/z of interest (e.g. internal Calibrants)" help="one column with m/z values, optional second column with names (m/z values can also be selected as name)"/>
+        <param name="mz_column" data_ref="calibrant_file" label="Column with m/z values" type="data_column"/>
+        <param name="name_column" data_ref="calibrant_file" label="Column with name of m/z values" type="data_column"/>
+        <param name="calibrant_header" type="boolean" label="Tabular file contains a header line" truevalue="TRUE" falsevalue="FALSE"/>
+    </xml>
+
+    <xml name="reading_pixel_annotations">
+                <param name="annotation_file" type="data" format="tabular" label="Tabular file with pixel coordinates and annotation"
+                help="Tabular file with three columns: x values, y values and pixel annotations"/>
+                <param name="column_x" data_ref="annotation_file" label="Column with x values" type="data_column"/>
+                <param name="column_y" data_ref="annotation_file" label="Column with y values" type="data_column"/>
+                <param name="column_names" data_ref="annotation_file" label="Column with pixel annotations" type="data_column"/>
+                <param name="tabular_header" type="boolean" label="Tabular file contains a header line" truevalue="TRUE" falsevalue="FALSE"/>
+    </xml>
+
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.1093/bioinformatics/btv146</citation>
+        </citations>
+    </xml>
+    <xml name="infile_analyze75">
+        <param name="infile" value="" ftype="analyze75">
+            <composite_data value="Analyze75.hdr"/>
+            <composite_data value="Analyze75.img"/>
+            <composite_data value="Analyze75.t2m"/>
+        </param>
+    </xml>
+    <xml name="infile_imzml">
+        <param name="infile" value="" ftype="imzml">
+            <composite_data value="Example_Continuous.imzML"/>
+            <composite_data value="Example_Continuous.ibd"/>
+        </param>
+    </xml>
+</macros>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/spectra_plots.xml	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,455 @@
+<tool id="cardinal_spectra_plots" name="MSI plot spectra" version="@VERSION@.0">
+    <description>
+        mass spectrometry imaging mass spectra plots
+    </description>
+    <macros>
+        <import>macros.xml</import>
+    </macros>
+    <expand macro="requirements">
+        <requirement type="package" version="2.2.1">r-gridextra</requirement>
+        <requirement type="package" version="2.2.1">r-ggplot2</requirement>
+        <requirement type="package" version="0.5.0">r-scales</requirement>
+    </expand>
+    <command detect_errors="exit_code">
+    <![CDATA[
+        @INPUT_LINKING@
+        cat '${MSI_mzplots}' &&
+        Rscript '${MSI_mzplots}'
+    ]]>
+    </command>
+    <configfiles>
+        <configfile name="MSI_mzplots"><![CDATA[
+
+################################# load libraries and read file #################
+
+library(Cardinal)
+library(gridExtra)
+library(ggplot2)
+library(scales)
+
+@READING_MSIDATA@
+
+@DATA_PROPERTIES@
+
+######################################## PDF ###################################
+################################################################################
+################################################################################
+
+
+pdf("mzplots.pdf", fonts = "Times", pointsize = 12)
+plot(0,type='n',axes=FALSE,ann=FALSE)
+#if not $filename:
+    #set $filename = $infile.display_name
+#end if
+title(main=paste0("Mass spectra for file: \n\n","$filename"))
+
+
+############################# I) numbers ######################################
+###############################################################################
+
+grid.table(property_df, rows= NULL)
+
+## set NA to 0 otherwise plot function will not work
+
+    spectra(msidata)[is.na(spectra(msidata)[])] = 0 ## in case of NA values they will be set to zero
+
+if (npeaks > 0){
+
+    pixeldf = data.frame(matrix(ncol = 2, nrow=0))
+
+    ############################# single pixel ################################
+    ###########################################################################
+
+    #if str( $pixel_conditional.pixel_type) == 'single_pixel':
+        print("single_pixel")
+
+        #for $chosenpixel in $pixel_conditional.repeatpixel: 
+
+            pixelname = paste0("x = ", $chosenpixel.inputx,", ", "y = ", $chosenpixel.inputy)
+            pixelisvalid = as.character(pixelname %in% names(pixels(msidata)))
+            pixeldf = rbind(pixeldf, cbind(pixelname, pixelisvalid))
+
+            ############################# II) control image ####################
+
+                if (pixelisvalid == "TRUE"){
+                    print(pixelisvalid)
+
+                    image(msidata, mz=$chosenpixel.inputmz, ylim = c(maximumy+(0.2*maximumy),minimumy-1),
+                    colorkey=FALSE, plusminus = $chosenpixel.plusminusinDalton,
+                    main= paste0("x= ",$chosenpixel.inputx, ", y= ", $chosenpixel.inputy))
+
+                    abline(v=$chosenpixel.inputx, col ="$chosenpixel.inputcolour", lty="$chosenpixel.inputtype", lwd=$chosenpixel.inputwidth)
+                    abline(h=$chosenpixel.inputy, col ="$chosenpixel.inputcolour", lty="$chosenpixel.inputtype", lwd=$chosenpixel.inputwidth)
+
+            ##################### III) plot full mass spectrum #################
+
+                    plot(msidata, coord=list(x=$chosenpixel.inputx, y=$chosenpixel.inputy))
+
+            ##################### IV) plot zoom-in mass spectrum ###############
+
+                    #if $chosenpixel.zoomedplot:
+                            iData(msidata) <- iData(msidata)[] ## getting back data on disk 
+
+                        #for $token in $chosenpixel.zoomedplot:
+
+                            minmasspixel = features(msidata, mz=$token.xlimmin)
+                            maxmasspixel = features(msidata, mz=$token.xlimmax)
+
+                            plot(msidata[minmasspixel:maxmasspixel,], coord=list(x=$chosenpixel.inputx, y=$chosenpixel.inputy), 
+                                 xlim= c($token.xlimmin,$token.xlimmax))
+
+                        #end for
+                    #end if
+                }else{
+                    print("The pixel coordinates did not correspond to a real pixel")}
+        #end for
+
+    colnames(pixeldf) = c("pixel coordinates", "coordinates were found in this file")
+
+    ############################# sample pixel ################################
+    ###########################################################################
+
+    #elif str( $pixel_conditional.pixel_type) == 'sample_pixel':
+        print("sample pixels")
+
+        ## optional annotation from tabular file to obtain pixel groups (otherwise all pixels are considered to be one sample)
+
+        #if str($pixel_conditional.tabular_annotation.load_annotation) == 'yes_annotation':
+
+            ## read and extract x,y,annotation information
+            input_tabular = read.delim("$pixel_conditional.tabular_annotation.annotation_file", header = $pixel_conditional.tabular_annotation.tabular_header, stringsAsFactors = FALSE)
+            annotation_input = input_tabular[,c($pixel_conditional.tabular_annotation.column_x, $pixel_conditional.tabular_annotation.column_y, $pixel_conditional.tabular_annotation.column_names)]
+            colnames(annotation_input) = c("x", "y", "annotation")
+
+            ## merge with coordinate information of msidata
+            msidata_coordinates = cbind(coord(msidata)[,1:2], c(1:ncol(msidata)))
+            colnames(msidata_coordinates)[3] = "pixel_index"
+            merged_annotation = merge(msidata_coordinates, annotation_input, by=c("x", "y"), all.x=TRUE)
+            merged_annotation[is.na(merged_annotation)] = "NA"
+            merged_annotation = merged_annotation[order(merged_annotation\$pixel_index),]
+            msidata\$annotation = as.factor(merged_annotation[,4])
+
+        #end if
+
+        ##################### I) Sample: plot full mass spectrum ##############
+
+        ## coloured plot with mean over all spectra with the same annotation, if no annotation is provided all pixels are considered as one sample
+
+        if (!is.null(levels(msidata\$annotation))){
+            print("annotated samples")
+
+                    ## overview plot over annotated samples
+                    number_combined = length(levels(msidata\$annotation))
+
+                    ## the more annotation groups a file has the smaller will be the legend
+                    if (number_combined<20){
+                        legend_size = 10
+                    }else if (number_combined>20 && number_combined<40){
+                        legend_size = 9
+                    }else if (number_combined>40 && number_combined<60){
+                        legend_size = 8
+                    }else if (number_combined>60 && number_combined<100){
+                        legend_size = 7
+                    }else{
+                        legend_size = 6
+                    }
+
+                    position_df = cbind(coord(msidata)[,1:2], as.factor(msidata\$annotation))
+                    colnames(position_df)[3] = "sample_name"
+
+                    combine_plot = ggplot(position_df, aes(x=x, y=y, fill=sample_name))+
+                           geom_tile(height = 1, width=1)+
+                           coord_fixed()+
+                           ggtitle("Spatial orientation of pixel annotations")+
+                           theme_bw()+
+                           theme(plot.title = element_text(hjust = 0.5))+
+                           theme(text=element_text(family="ArialMT", face="bold", size=12))+
+                           theme(legend.position="bottom",legend.direction="vertical")+
+                           theme(legend.key.size = unit(0.2, "line"), legend.text = element_text(size = 6))+
+                           guides(fill=guide_legend(ncol=4,byrow=TRUE))
+
+                   coord_labels = aggregate(cbind(x,y)~sample_name, data=position_df, mean, na.rm=TRUE, na.action="na.pass")
+                   coord_labels\$file_number = 1:length(levels(position_df\$sample_name))
+
+                    for(file_count in 1:nrow(coord_labels))
+                    {combine_plot = combine_plot + annotate("text",x=coord_labels[file_count,"x"],
+                    y=coord_labels[file_count,"y"],label=toString(coord_labels[file_count,4]))}
+
+                    print(combine_plot)
+
+                    ## print legend only for less than 10 samples
+                    if (length(levels(msidata\$annotation)) < 10){
+                        key_legend = TRUE
+                    }else{key_legend = FALSE}
+
+            spectra(msidata)[is.na(spectra(msidata)[])] = 0 ## in case of NA values they will be set to zero
+            plot(msidata, pixel=1:ncol(msidata), pixel.groups=msidata\$annotation, key=key_legend, col=hue_pal()(length(levels(msidata\$annotation))),superpose=TRUE)
+        }else{
+            spectra(msidata)[is.na(spectra(msidata)[])] = 0 ## in case of NA values they will be set to zero
+            plot(msidata, pixel=1:ncol(msidata), key=TRUE)}
+
+        ##################### II) Sample: plot zoom-in mass spectrum ##########
+
+        #if $pixel_conditional.zoomed_sample:
+            iData(msidata) <- iData(msidata)[] ## getting back data on disk 
+            #for $token in $pixel_conditional.zoomed_sample:
+                print("zoomed sample pixels")
+
+                minmasspixel = features(msidata, mz=$token.xlimmin)
+                maxmasspixel = features(msidata, mz=$token.xlimmax)
+
+                ## coloured plot with mean over all spectra for annotation group, otherwise only 1 black plot
+                if (!is.null(levels(msidata\$annotation))){
+                    print("annotation samples")
+                    plot(msidata[minmasspixel:maxmasspixel,], pixel=1:ncol(msidata),
+                    xlim= c($token.xlimmin,$token.xlimmax),pixel.groups=msidata\$annotation,
+                    key=key_legend,col=hue_pal()(length(levels(msidata\$annotation))), superpose=TRUE)
+                }else{
+                    plot(msidata[minmasspixel:maxmasspixel,], pixel=1:ncol(msidata), key=TRUE, xlim= c($token.xlimmin,$token.xlimmax))}
+
+            #end for
+        #end if
+
+        if (!is.null(levels(msidata\$annotation))){
+            pixeldf = data.frame(table(msidata\$annotation))
+        }else{
+            pixeldf = data.frame("$filename", ncol(msidata))}
+        colnames(pixeldf) = c("sample name", "number of pixels")
+
+    #end if
+
+
+############################# pixel table ######################################
+###############################################################################
+
+
+    ### overview table of pixels or samples:
+    plot(0,type='n',axes=FALSE,ann=FALSE)
+    title(main="Overview of chosen pixel:")
+
+    ### for more than 20 annotation groups print only 20 samples per page:
+    if (is.null(levels(msidata\$annotation))){
+        grid.table(pixeldf, rows= NULL)
+    }else if (length(levels(msidata\$annotation)) <= 20){
+        grid.table(pixeldf, rows= NULL)
+    }else{
+        grid.table(pixeldf[1:20,], rows= NULL)
+        mincount = 21
+        maxcount = 40
+        for (count20 in 1:(ceiling(nrow(pixeldf)/20)-1)){
+            plot(0,type='n',axes=FALSE,ann=FALSE)
+            if (maxcount <= nrow(pixeldf)){
+                grid.table(pixeldf[mincount:maxcount,], rows= NULL)
+                mincount = mincount+20
+                maxcount = maxcount+20
+            }else{### stop last page with last sample otherwise NA in table
+                grid.table(pixeldf[mincount:nrow(pixeldf),], rows= NULL)} 
+        }
+    }
+
+    dev.off()
+
+}else{
+    print("Inputfile has no intensities > 0")
+    dev.off()
+}
+    ]]></configfile>
+    </configfiles>
+    <inputs>
+        <expand macro="reading_msidata"/>
+        <expand macro="pdf_filename"/>
+        <conditional name="pixel_conditional">
+            <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">
+                <option value="single_pixel" selected="True">Single pixel</option>
+                <option value="sample_pixel">Average spectrum for each sample</option>
+            </param>
+            <when value="single_pixel">
+                <repeat name="repeatpixel" title="Plot mass spectra for pixel of interest" min="1" max="20">
+                    <param name="inputx" type="integer" value="" label="x-coordinate of pixel of interest" help="x-value of the pixel of interest"/>
+                    <param name="inputy" type="integer" value="" label="y-coordinate of pixel of interest" help="y-value of the pixel of interest"/>
+                    <param name="inputmz" type="float" value="1296.7" label="Next parameters are to control heatmap image which will be plotted, define m/z here" help="m/z will be displayed as heatmap and the pixel of interest will be visualized by the intersection of two lines"/>
+                    <param name="plusminusinDalton" value="0.25" type="float" label="m/z range for this m/z value" help="plusminus m/z window "/>
+                    <param name="inputcolour" type="select" label="Select the colour for the lines at x and y position">
+                        <option value="white" selected="True">white</option>
+                        <option value="black">black</option>
+                        <option value="grey">grey</option>
+                        <option value="blue">blue</option>
+                        <option value="red">red</option>
+                        <option value="green">green</option>
+                    </param>
+                    <param name="inputtype" type="select" label="Select the line type for the lines at x and y position">
+                        <option value="solid" selected="True">solid</option>
+                        <option value="dashed">dashed</option>
+                        <option value="dotted">dotted</option>
+                        <option value="longdash">longdash</option>
+                    </param>
+                    <param name="inputwidth" type="integer" value="2" label="Select the width of the lines at x and y position"/>
+                    <repeat name="zoomedplot" title="Zoomed in plots with m/z min and m/z max to define the plot window" min="0" max="50">
+                        <param name="xlimmin" type="integer" value="" label="lower m/z boundary for plotting window" help="minimum m/z for zoomed in window"/>
+                        <param name="xlimmax" type="integer" value="" label="upper m/z boundary for plotting window" help="maximum m/z for zoomed in window"/>
+                    </repeat>
+                </repeat>
+            </when>
+            <when value="sample_pixel">
+            <conditional name="tabular_annotation">
+                <param name="load_annotation" type="select" label="Use pixel annotation from tabular file for spectra plots">
+                    <option value="no_annotation" selected="True">pixels belong into one group only</option>
+                    <option value="yes_annotation">group pixels according to annotations</option>
+                </param>
+                    <when value="yes_annotation">
+                        <expand macro="reading_pixel_annotations"/>
+                    </when>
+                    <when value="no_annotation"/>
+            </conditional>
+                <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">
+                    <param name="xlimmin" type="integer" value="" label="lower m/z boundary for plotting window" help="minimum m/z for zoomed in window"/>
+                    <param name="xlimmax" type="integer" value="" label="upper m/z boundary for plotting window" help="maximum m/z for zoomed in window"/>
+                </repeat>
+            </when>
+        </conditional>
+    </inputs>
+    <outputs>
+        <data format="pdf" name="plots" from_work_dir="mzplots.pdf" label="${tool.name} on ${on_string}"/>
+    </outputs>
+    <tests>
+        <test>
+            <expand macro="infile_imzml"/>
+            <conditional name="pixel_conditional">
+                <param name="pixel_type" value="single_pixel"/>
+                    <repeat name="repeatpixel">
+                        <param name="plusminusinDalton" value="0.25"/>
+                        <param name="inputx" value="3"/>
+                        <param name="inputy" value="3"/>
+                        <repeat name="zoomedplot">
+                            <param name="xlimmin" value="310"/>
+                            <param name="xlimmax" value="320"/>
+                        </repeat>
+                        <repeat name="zoomedplot">
+                            <param name="xlimmin" value="350"/>
+                            <param name="xlimmax" value="400"/>
+                        </repeat>
+                        <repeat name="zoomedplot">
+                            <param name="xlimmin" value="400"/>
+                            <param name="xlimmax" value="420"/>
+                        </repeat>
+                    </repeat>
+                    <repeat name="repeatpixel">
+                        <param name="plusminusinDalton" value="0.25"/>
+                        <param name="inputx" value="2"/>
+                        <param name="inputy" value="2"/>
+                    </repeat>
+                    <repeat name="repeatpixel">
+                        <param name="plusminusinDalton" value="0.25"/>
+                        <param name="inputx" value="1"/>
+                        <param name="inputy" value="1"/>
+                    </repeat>
+                </conditional>
+            <output name="plots" file="Plot_imzml.pdf" compare="sim_size"/>
+        </test>
+        <test>
+            <expand macro="infile_analyze75"/>
+            <conditional name="pixel_conditional">
+                <param name="pixel_type" value="single_pixel"/>
+                    <repeat name="repeatpixel">
+                        <param name="plusminusinDalton" value="0.25"/>
+                        <param name="inputx" value="5"/>
+                        <param name="inputy" value="2"/>
+                        <repeat name="zoomedplot">
+                            <param name="xlimmin" value="840"/>
+                            <param name="xlimmax" value="850"/>
+                        </repeat>
+                    </repeat>
+                    <repeat name="repeatpixel">
+                        <param name="plusminusinDalton" value="0.25"/>
+                        <param name="inputx" value="2"/>
+                        <param name="inputy" value="2"/>
+                    </repeat>
+            </conditional>
+            <output name="plots" file="Plot_analyze75.pdf" compare="sim_size"/>
+        </test>
+        <test>
+            <expand macro="infile_analyze75"/>
+            <conditional name="pixel_conditional">
+                <param name="pixel_type" value="sample_pixel"/>
+                <conditional name="tabular_annotation">
+
+                    <param name="load_annotation" value="yes_annotation"/>
+                    <param name="annotation_file" value="annotations.tabular" ftype="tabular"/>
+                    <param name="column_x" value="1"/>
+                    <param name="column_y" value="2"/>
+                    <param name="column_names" value="4"/>
+                    <param name="tabular_header" value="TRUE"/>
+
+
+
+                </conditional>
+                <repeat name="zoomed_sample">
+                     <param name="xlimmin" value="1250"/>
+                     <param name="xlimmax" value="1270"/>
+                 </repeat>
+            </conditional>
+            <output name="plots" file="Plot_analyze75_allpixels.pdf" compare="sim_size"/>
+        </test>
+        <test>
+            <param name="infile" value="3_files_combined.RData" ftype="rdata"/>
+            <conditional name="pixel_conditional">
+                <param name="pixel_type" value="sample_pixel"/>
+                    <repeat name="zoomed_sample">
+                         <param name="xlimmin" value="350"/>
+                         <param name="xlimmax" value="360"/>
+                     </repeat>
+            </conditional>
+            <output name="plots" file="Plot_rdata.pdf" compare="sim_size"/>
+        </test>
+        <test>
+            <param name="infile" value="empty_spectra.rdata" ftype="rdata"/>
+            <conditional name="pixel_conditional">
+                <param name="pixel_type" value="single_pixel"/>
+                    <repeat name="repeatpixel">
+                        <param name="plusminusinDalton" value="0.1"/>
+                        <param name="inputx" value="1"/>
+                        <param name="inputy" value="1"/>
+                    </repeat>
+            </conditional>
+            <output name="plots" file="Plot_empty_spectra.pdf" compare="sim_size"/>
+        </test>
+    </tests>
+    <help><![CDATA[
+
+@CARDINAL_DESCRIPTION@
+
+-----
+
+This tool uses the Cardinal plot function to generate (zoomed in) mass spectra plots of mass spectrometry imaging data.
+
+@MSIDATA_INPUT_DESCRIPTION@
+@SPECTRA_TABULAR_INPUT_DESCRIPTION@
+
+**Options**
+
+- "single pixel": Returns a full mass spectrum plot for one pixel, which is defined by its x- and y-coordinates
+
+    - Enter the x and y coordinates of your pixel of interest
+    - 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.
+    - Additionally zoom into mass spectra plots is possible by providing the minimum and maximum m/z value to define the limits of the plot
+
+- "All pixels of a sample": Returns a full average mass spectrum plot with different colours for each pixel annotation group, without annotations the average of all pixels is plotted
+
+    - Additionally zoom into mass spectra plots is possible by providing the minimum and maximum m/z value to define the limits of the plot
+
+
+**Tip** 
+
+- Corresponding m/z intensity pairs for single spectra can be obtained with the filtering tool option "ranges for x and y" and afterwards using the imzml tabular exporter tool
+- Plots will only be drawn for pixels that exist in the MSI data, pixel that are outside the dataset will be "False" in the overview table on the last page of the pdf
+
+
+**Output**
+
+- Pdf with the selected mass spectra plots and additional x-y grid plots
+
+
+]]>
+    </help>
+    <expand macro="citations"/>
+</tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/112_annotation_output.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,16 @@
+x	y	sample_name	file_name	column_name	NA.x	NA.y	NA
+1	1	msidata_1.RData	file_one	col1	NA	NA	NA
+1	2	msidata_1.RData	file_one	col1	NA	NA	NA
+1	3	msidata_1.RData	file_one	col1	NA	NA	NA
+10	1	123_combined.RData	file_two	col3	NA	NA	NA
+10	2	123_combined.RData	file_two	col3	NA	NA	NA
+10	3	123_combined.RData	file_two	col3	NA	NA	NA
+15	1	123_combined.RData	file_three	col3	NA	NA	NA
+15	2	123_combined.RData	file_three	col3	NA	NA	NA
+15	3	123_combined.RData	file_three	col3	NA	NA	NA
+7	1	123_combined.RData	file_one	col1	NA	NA	NA
+7	2	123_combined.RData	file_one	col1	NA	NA	NA
+7	3	123_combined.RData	file_one	col1	NA	NA	NA
+9	1	123_combined.RData	file_two	col2	NA	NA	NA
+9	2	123_combined.RData	file_two	col2	NA	NA	NA
+9	3	123_combined.RData	file_two	col2	NA	NA	NA
Binary file test-data/112_auto_combined.RData has changed
Binary file test-data/112_auto_combined_QC.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/123_annotation.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,13 @@
+x	y	file_name	column_name
+1	1	file_one	col1
+1	2	file_one	col1
+1	3	file_one	col1
+3	1	file_two	col2
+3	2	file_two	col2
+3	3	file_two	col2
+4	1	file_two	col3
+4	2	file_two	col3
+4	3	file_two	col3
+9	1	file_three	col3
+9	2	file_three	col3
+9	3	file_three	col3
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/123_annotation_output.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,13 @@
+x	y	sample_name	file_name	column_name	NA.x	NA.y	NA
+1	1	File1	file_one	col1	NA	NA	NA
+1	2	File1	file_one	col1	NA	NA	NA
+1	3	File1	file_one	col1	NA	NA	NA
+3	1	File2	file_two	col2	NA	NA	NA
+3	2	File2	file_two	col2	NA	NA	NA
+3	3	File2	file_two	col2	NA	NA	NA
+4	1	File2	file_two	col3	NA	NA	NA
+4	2	File2	file_two	col3	NA	NA	NA
+4	3	File2	file_two	col3	NA	NA	NA
+9	1	File3	file_three	col3	NA	NA	NA
+9	2	File3	file_three	col3	NA	NA	NA
+9	3	File3	file_three	col3	NA	NA	NA
Binary file test-data/123_combined.RData has changed
Binary file test-data/123_combined_QC.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/12_annotation_output.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,10 @@
+x	y	sample_name	file_name	column_name	NA.x	NA.y	NA
+1	1	msidata_1.RData	file_one	col1	NA	NA	NA
+1	2	msidata_1.RData	file_one	col1	NA	NA	NA
+1	3	msidata_1.RData	file_one	col1	NA	NA	NA
+7	1	msidata_2.RData	file_two	col2	NA	NA	NA
+7	2	msidata_2.RData	file_two	col2	NA	NA	NA
+7	3	msidata_2.RData	file_two	col2	NA	NA	NA
+8	1	msidata_2.RData	file_two	col3	NA	NA	NA
+8	2	msidata_2.RData	file_two	col3	NA	NA	NA
+8	3	msidata_2.RData	file_two	col3	NA	NA	NA
Binary file test-data/12_combined.RData has changed
Binary file test-data/12_combined_QC.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2123_annotation_output.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,19 @@
+x	y	sample_name
+1	1	msidata_2.RData
+2	1	msidata_2.RData
+1	2	msidata_2.RData
+2	2	msidata_2.RData
+1	3	msidata_2.RData
+2	3	msidata_2.RData
+8	1	123_combined.RData
+8	2	123_combined.RData
+8	3	123_combined.RData
+10	1	123_combined.RData
+11	1	123_combined.RData
+10	2	123_combined.RData
+11	2	123_combined.RData
+10	3	123_combined.RData
+11	3	123_combined.RData
+16	1	123_combined.RData
+16	2	123_combined.RData
+16	3	123_combined.RData
Binary file test-data/2123_auto_combined.RData has changed
Binary file test-data/2123_auto_combined_QC.pdf has changed
Binary file test-data/3_files_combined.RData has changed
Binary file test-data/Analyze75.hdr has changed
Binary file test-data/Analyze75.img has changed
Binary file test-data/Analyze75.t2m has changed
Binary file test-data/Example_Continuous.ibd has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Example_Continuous.imzML	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,313 @@
+<?xml version="1.0"?>
+<mzML version="1.1" xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0_idx.xsd">
+	<cvList count="3">
+		<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="1.3.1" URI="http://psidev.info/ms/mzML/psi-ms.obo" />
+		<cv id="UO" fullName="Unit Ontology" version="1.15" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo" />
+		<cv id="IMS" fullName="Imaging MS Ontology" version="0.9.1" URI="http://www.maldi-msi.org/download/imzml/imagingMS.obo" />
+	</cvList>
+	<fileDescription>
+		<fileContent>
+			<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value="" />
+			<cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" value="" />
+			<cvParam cvRef="IMS" accession="IMS:1000080" name="universally unique identifier" value="{51BB7C6F-9974-4626-B35F-5B65547BAE6B}" />
+			<cvParam cvRef="IMS" accession="IMS:1000091" name="ibd SHA-1" value="26C26A63DCF7CD1AD768A67AEDB7131C5D88C397" />
+			<cvParam cvRef="IMS" accession="IMS:1000030" name="continuous" value="" />
+		</fileContent>
+	</fileDescription>
+	<referenceableParamGroupList count="4">
+		<referenceableParamGroup id="spectrum1">
+			<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value="" />
+			<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="0" />
+			<cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" value="" />
+		</referenceableParamGroup>
+		<referenceableParamGroup id="scan1">
+			<cvParam cvRef="MS" accession="MS:1000093" name="increasing m/z scan" value="" />
+			<cvParam cvRef="MS" accession="MS:1000095" name="linear" value="" />
+		</referenceableParamGroup>
+		<referenceableParamGroup id="mzArray">
+			<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value="" />
+			<cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z" />
+			<cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true" />
+			<cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value="32-bit float" />
+		</referenceableParamGroup>
+		<referenceableParamGroup id="intensityArray">
+			<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value="" />
+			<cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts" />
+			<cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true" />
+			<cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value="32-bit float" />
+		</referenceableParamGroup>
+	</referenceableParamGroupList>
+	<sampleList count="1">
+		<sample id="sample1" name="Sample1">
+			<cvParam cvRef="MS" accession="MS:1000001" name="sample number" value="1" />
+		</sample>
+	</sampleList>
+	<softwareList count="1">
+		<software id="Cardinal" version="1.12.0">
+			<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" />
+		</software>
+	</softwareList>
+	<scanSettingsList count="1">
+		<scanSettings id="scansettings1">
+			<cvParam cvRef="IMS" accession="IMS:1000042" name="max count of pixel x" value="3" />
+			<cvParam cvRef="IMS" accession="IMS:1000043" name="max count of pixel y" value="3" />
+		</scanSettings>
+	</scanSettingsList>
+	<instrumentConfigurationList count="1">
+		<instrumentConfiguration id="IC1" />
+	</instrumentConfigurationList>
+	<dataProcessingList count="1">
+		<dataProcessing id="CardinalWriteImzML">
+			<processingMethod order="1" softwareRef="Cardinal">
+				<cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value="" />
+			</processingMethod>
+		</dataProcessing>
+	</dataProcessingList>
+	<run defaultInstrumentConfigurationRef="IC1" id="Experiment01" sampleRef="sample1">
+		<spectrumList count="9" defaultDataProcessingRef="CardinalWriteImzML">
+			<spectrum id="Spectrum=1" defaultArrayLength="0" index="1">
+				<referenceableParamGroupRef ref="spectrum1" />
+				<scanList count="1">
+					<cvParam cvRef="MS" accession="MS:1000795" name="no combination" value="" />
+					<scan instrumentConfigurationRef="IC1">
+						<referenceableParamGroupRef ref="scan1" />
+						<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="1" />
+						<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1" />
+					</scan>
+				</scanList>
+				<binaryDataArrayList count="2">
+					<binaryDataArray encodedLength="0">
+						<referenceableParamGroupRef ref="mzArray" />
+						<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16" />
+						<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1199" />
+						<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4796" />
+						<binary />
+					</binaryDataArray>
+					<binaryDataArray encodedLength="0">
+						<referenceableParamGroupRef ref="intensityArray" />
+						<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="4812" />
+						<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="1199" />
+						<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="4796" />
+						<binary />
+					</binaryDataArray>
+				</binaryDataArrayList>
+			</spectrum>
+			<spectrum id="Spectrum=2" defaultArrayLength="0" index="2">
+				<referenceableParamGroupRef ref="spectrum1" />
+				<scanList count="1">
+					<cvParam cvRef="MS" accession="MS:1000795" name="no combination" value="" />
+					<scan instrumentConfigurationRef="IC1">
+						<referenceableParamGroupRef ref="scan1" />
+						<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="2" />
+						<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="1" />
+					</scan>
+				</scanList>
+				<binaryDataArrayList count="2">
+					<binaryDataArray encodedLength="0">
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+					<cvParam cvRef="MS" accession="MS:1000795" name="no combination" value="" />
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+						<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="3" />
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+				</scanList>
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+						<binary />
+					</binaryDataArray>
+				</binaryDataArrayList>
+			</spectrum>
+		</spectrumList>
+	</run>
+</mzML>
Binary file test-data/Example_Processed.ibd has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Example_Processed.imzML	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,373 @@
+<?xml version="1.0" encoding="ISO-8859-1"?>
+<mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0_idx.xsd" version="1.1">
+  <cvList count="3">
+    <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="1.3.1" URI="http://psidev.info/ms/mzML/psi-ms.obo"/>
+    <cv id="UO" fullName="Unit Ontology" version="1.15" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
+    <cv id="IMS" fullName="Imaging MS Ontology" version="0.9.1" URI="http://www.maldi-msi.org/download/imzml/imagingMS.obo"/>
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+  <fileDescription>
+    <fileContent>
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+      <cvParam cvRef="MS" accession="MS:1000128" name="profile spectrum" value=""/>
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+      <cvParam cvRef="IMS" accession="IMS:1000031" name="processed" value=""/>
+    </fileContent>
+    <sourceFileList count="1">
+      <sourceFile id="sf1" name="Example.raw" location="C:\Users\Thorsten Schramm\Documents\Promotion\imzML\Website\files\Beispiel-Dateien\Example images\">
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+    <contact>
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+      <cvParam cvRef="MS" accession="MS:1000587" name="contact address" value="Schubertstraße 60, Haus 16, Gießen, Germany"/>
+      <cvParam cvRef="MS" accession="MS:1000589" name="contact email" value="thorsten.schramm@anorg.chemie.uni-.giessen.de"/>
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+  </fileDescription>
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+  </referenceableParamGroupList>
+  <sampleList count="1">
+    <sample id="sample1" name="Sample1">
+      <cvParam cvRef="MS" accession="MS:1000001" name="sample number" value="1"/>
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+        <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
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+    </dataProcessing>
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+  <run defaultInstrumentConfigurationRef="LTQFTUltra0" defaultSourceFileRef="sf1" id="Experiment01" sampleRef="sample1" startTimeStamp="2009-08-11T15:59:44">
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Binary file test-data/Heatmaps_LM8_file16.pdf has changed
Binary file test-data/Heatmaps_analyze75.pdf has changed
Binary file test-data/Heatmaps_imzml.pdf has changed
Binary file test-data/Heatmaps_rdata.pdf has changed
Binary file test-data/Plot_analyze75.pdf has changed
Binary file test-data/Plot_analyze75_allpixels.pdf has changed
Binary file test-data/Plot_empty_spectra.pdf has changed
Binary file test-data/Plot_imzml.pdf has changed
Binary file test-data/Plot_rdata.pdf has changed
Binary file test-data/QC_analyze75.pdf has changed
Binary file test-data/QC_empty_spectra.pdf has changed
Binary file test-data/QC_imzml.pdf has changed
Binary file test-data/QC_rdata.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
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Binary file test-data/analyze75_filtered2.pdf has changed
Binary file test-data/analyze_filtered.RData has changed
Binary file test-data/analyze_filtered.pdf has changed
Binary file test-data/analyze_filteredoutside.RData has changed
Binary file test-data/analyze_originaloutput.RData has changed
Binary file test-data/analyze_originaloutput2.RData has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/annotations.tabular	Mon Oct 01 01:01:41 2018 -0400
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+X	Y	file_name	column_name
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/annotations_file1.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,10 @@
+x	y	file_name	column_name
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+1	2	file_one	col1
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/annotations_file2.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,10 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/annotations_file3.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,10 @@
+X	Y	file_name	column_name
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
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@@ -0,0 +1,13 @@
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+1	2	column1
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Binary file test-data/centroids_rdata.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/classes_ssc.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,10 @@
+pixel names	x	y	r = 1, k = 3, s = 2	r = 2, k = 3, s = 2
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Binary file test-data/cluster_skm.RData has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/cluster_skm.tabular	Mon Oct 01 01:01:41 2018 -0400
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Binary file test-data/empty_spectra.rdata has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/features_out1.tabular	Mon Oct 01 01:01:41 2018 -0400
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+mz_397.25	397.25	0.00360411198602782	0	0.0108123359580835	300	0.0324370078742504	2
+mz_397.33	397.333343505859	5.81765407613358e-19	0	1.74529622283953e-18	299.999999999906	5.23588866852022e-18	2
+mz_397.42	397.416687011719	1.46372722807492e-19	0	4.39118168421406e-19	299.999999999268	1.31735450526743e-18	2
+mz_397.5	397.5	7.38184882329827e-21	0	2.21455464696484e-20	299.999999996662	6.64366394096844e-20	2
+mz_397.58	397.583343505859	5.19108733658977e-23	0	1.55732620090041e-22	299.99999998526	4.67197860293079e-22	2
+mz_397.67	397.666687011719	2.15759913165433e-06	0	6.47279739496298e-06	300	1.94183921848889e-05	2
+mz_397.75	397.75	6.33312184719317e-07	0	1.89993655415795e-06	300	5.69980966247385e-06	2
+mz_397.83	397.833343505859	5.05598304951289e-08	0	1.51679491485387e-07	300	4.5503847445616e-07	2
+mz_397.92	397.916687011719	2.1973092932285e-23	0	6.59192787967557e-23	299.999999999548	1.97757836390565e-22	2
+mz_398	398	3.04395583748723e-24	0	9.13186751242318e-24	299.999999998735	2.73956025373851e-23	2
+mz_398.08	398.083343505859	0.00435541777147187	0	0.0130662533144156	300	0.0391987599432468	3
+mz_398.17	398.166687011719	0.0476158229749465	0	0.142847468396982	299.999998891423	0.428542406774519	3
+mz_398.25	398.25	0.0337751011944952	0	0.101325303282695	299.999999109431	0.303975910750457	3
+mz_398.33	398.333343505859	0.00567932097266618	0	0.017037962868249	299.999999124024	0.0511138887539956	2
+mz_398.42	398.416687011719	0	0	0	NA	0	0
+mz_398.5	398.5	1.45001195853997e-39	0	4.35003587561991e-39	300	1.30501076268597e-38	1
+mz_398.58	398.583343505859	5.86734578455249e-32	0	1.76020373536575e-31	300	5.28061120609724e-31	1
+mz_398.67	398.666687011719	0.00365118661688434	0	0.0075229081301236	206.040088319099	0.032860679551959	3
+mz_398.75	398.75	0.0974471403492822	0	0.218609809238247	224.336813224769	0.877024263143539	3
+mz_398.83	398.833343505859	0.0827518999576569	0	0.185963341513219	224.723953901208	0.744767099618912	3
+mz_398.92	398.916687011719	0.0164484298891491	0	0.037280611765694	226.651492069086	0.148035869002342	2
+mz_399	399	0	0	0	NA	0	0
+mz_399.08	399.083343505859	0	0	0	NA	0	0
+mz_399.17	399.166687011719	2.12591405853366e-35	0	6.37774217560099e-35	300	1.9133226526803e-34	1
+mz_399.25	399.25	8.92074257340149e-36	0	2.67622277202045e-35	300	8.02866831606135e-35	1
+mz_399.33	399.333343505859	8.50251995466857e-06	0	1.90083935605297e-05	223.561881205496	7.65226795920171e-05	3
+mz_399.42	399.416687011719	2.75656642164298e-06	0	6.22119222208426e-06	225.686280339158	2.48090977947868e-05	2
+mz_399.5	399.5	2.66098109275643e-07	0	6.10309301715427e-07	229.354993681382	2.39488298348078e-06	2
+mz_399.58	399.583343505859	0	0	0	NA	0	0
+mz_399.67	399.666687011719	0	0	0	NA	0	0
+mz_399.75	399.75	0	0	0	NA	0	0
+mz_399.83	399.833343505859	5.33034209363829e-10	0	1.173826627321e-09	220.216002406666	4.79730788427446e-09	2
+mz_399.92	399.916687011719	3.73221996517891e-10	0	8.39290456755431e-10	224.877007407359	3.35899796866101e-09	2
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/features_out3.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,1200 @@
+mz_names	mz	sample_mean	sample_median	sample_sd	sample_sem	intensity_sum	number_peaks
+mz_300.08	300.083343505859	0.0292992062038845	0	0.0878976186116536	300	0.263692855834961	1
+mz_300.17	300.166687011719	0.00287774681217141	0	0.00863324043651422	300	0.0258997213095427	1
+mz_300.25	300.25	1.77280128848483e-10	0	5.31840386545449e-10	300	1.59552115963635e-09	1
+mz_300.33	300.333343505859	5.14883475361611e-11	0	1.54465042608483e-10	300	4.6339512782545e-10	1
+mz_300.42	300.416687011719	4.0139211399115e-12	0	1.20417634197345e-11	300	3.61252902592035e-11	1
+mz_300.5	300.5	5.50704215937811e-06	0	1.65211264781343e-05	300	4.9563379434403e-05	1
+mz_300.58	300.583343505859	3.95111985401147e-06	0	1.18533595620344e-05	300	3.55600786861032e-05	1
+mz_300.67	300.666687011719	7.27397238935939e-07	0	2.18219171680782e-06	300	6.54657515042345e-06	1
+mz_300.75	300.75	1.30250899042089e-14	0	3.90752697126268e-14	300	1.1722580913788e-13	1
+mz_300.83	300.833343505859	7.27670494871757e-15	0	2.18301148461527e-14	300	6.54903445384582e-14	1
+mz_300.92	300.916687011719	1.19033973005598e-15	0	3.57101919016793e-15	300	1.07130575705038e-14	1
+mz_301	301	0	0	0	NA	0	0
+mz_301.08	301.083343505859	4.24474381569932e-10	0	1.2734231447098e-09	300	3.82026943412939e-09	1
+mz_301.17	301.166687011719	1.2672437173696e-10	0	3.8017311521088e-10	300	1.14051934563264e-09	1
+mz_301.25	301.25	1.04927193477088e-11	0	3.14781580431263e-11	300	9.4434474129379e-11	1
+mz_301.33	301.333343505859	8.29418595654768e-19	0	2.4882557869643e-18	300	7.46476736089292e-18	1
+mz_301.42	301.416687011719	2.20798332887492e-19	0	6.62394998662477e-19	300	1.98718499598743e-18	1
+mz_301.5	301.5	1.36295095239794e-20	0	4.08885285719383e-20	300	1.22665585715815e-19	1
+mz_301.58	301.583343505859	3.00898357879359e-14	0	9.02695073638077e-14	300	2.70808522091423e-13	1
+mz_301.67	301.666687011719	1.77132674365446e-14	0	5.31398023096337e-14	300	1.59419406928901e-13	1
+mz_301.75	301.75	2.98124144276739e-15	0	8.94372432830217e-15	300	2.68311729849065e-14	1
+mz_301.83	301.833343505859	6.7355936850742e-23	0	2.02067810552226e-22	300	6.06203431656678e-22	1
+mz_301.92	301.916687011719	3.23492041045198e-23	0	9.70476123135593e-23	300	2.91142836940678e-22	1
+mz_302	302	4.80219917504923e-24	0	1.44065975251477e-23	300	4.32197925754431e-23	1
+mz_302.08	302.083343505859	0	0	0	NA	0	0
+mz_302.17	302.166687011719	1.99229097511357e-18	0	5.97687292534071e-18	300	1.79306187760221e-17	1
+mz_302.25	302.25	5.44512547500737e-19	0	1.63353764250221e-18	300	4.90061292750663e-18	1
+mz_302.33	302.333343505859	3.63632770555763e-20	0	1.09089828246395e-19	299.999991969003	3.27269493500187e-19	2
+mz_302.42	302.416687011719	3.84359191432166e-27	0	1.1530775742965e-26	300	3.45923272288949e-26	1
+mz_302.5	302.5	9.40271183279141e-28	0	2.82081354983742e-27	300	8.46244064951227e-27	1
+mz_302.58	302.583343505859	4.19068660396836e-29	0	1.25720598119051e-28	300	3.77161794357152e-28	1
+mz_302.67	302.666687011719	0.00150662205285496	0	0.00451986615856489	300	0.0135595984756947	2
+mz_302.75	302.75	0.0266792873541514	0	0.0800378620624542	300	0.240113586187363	2
+mz_302.83	302.833343505859	0.0301816893948449	0	0.0905450681845347	300	0.271635204553604	2
+mz_302.92	302.916687011719	0.0074387863278389	0	0.0223163589835167	300	0.0669490769505501	2
+mz_303	303	0.000343241521881686	0	0.00102972456564506	300	0.00308917369693518	2
+mz_303.08	303.083343505859	1.90888501507935e-32	0	5.72665504523804e-32	300	1.71799651357141e-31	1
+mz_303.17	303.166687011719	9.50172003937247e-28	0	2.85051601181174e-27	300	8.55154803543523e-27	1
+mz_303.25	303.25	9.25846532935131e-27	0	2.77753959880539e-26	300	8.33261879641618e-26	1
+mz_303.33	303.333343505859	2.64138078718032e-06	0	7.92414236154097e-06	300	2.37724270846229e-05	2
+mz_303.42	303.416687011719	1.12685888274831e-06	0	3.38057664824494e-06	300	1.01417299447348e-05	3
+mz_303.5	303.5	1.5199399664804e-07	0	4.55981989944121e-07	300	1.36794596983236e-06	2
+mz_303.58	303.583343505859	3.97451655089665e-36	0	1.19235496526899e-35	300	3.57706489580698e-35	1
+mz_303.67	303.666687011719	1.03985842496894e-37	0	3.11957527490683e-37	300	9.35872582472049e-37	1
+mz_303.75	303.75	7.96941869870046e-31	0	2.39082560961014e-30	300	7.17247682883041e-30	1
+mz_303.83	303.833343505859	0.0270062172542744	0	0.0810186514954741	299.999999010046	0.24305595528847	3
+mz_303.92	303.916687011719	0.0584998707536427	0	0.165351890754788	282.653429186409	0.526498836782784	3
+mz_304	304	0.113442414368197	0	0.230462537477837	203.153766394491	1.02098172931377	4
+mz_304.08	304.083343505859	0.0643015321766818	0	0.107274756226406	166.830793287547	0.578713789590137	4
+mz_304.17	304.166687011719	0.0430152416229248	0	0.10287009271876	239.148006235855	0.387137174606323	3
+mz_304.25	304.25	0.0134553205635813	0	0.0403659616907438	300	0.121097885072231	1
+mz_304.33	304.333343505859	0.00183256314550009	0	0.00448183481638045	244.566460227344	0.0164930683095008	2
+mz_304.42	304.416687011719	0.0184142688910297	0	0.055242806673045	299.999999999761	0.165728420019267	2
+mz_304.5	304.5	0.0312965308936983	0	0.0930970722702725	297.467705243388	0.281668778043285	3
+mz_304.58	304.583343505859	0.0910575851068851	2.94947021757253e-05	0.121202831967098	133.105695505572	0.819518265961966	6
+mz_304.67	304.666687011719	0.141261092069625	1.76512676262064e-05	0.213864260400085	151.39643709867	1.27134982862663	6
+mz_304.75	304.75	0.0428423629432915	7.36899835374061e-07	0.0652007274927926	152.187514911574	0.385581266489623	5
+mz_304.83	304.833343505859	0.00370533956061081	0	0.00564405809404661	152.322290622029	0.0333480560454973	4
+mz_304.92	304.916687011719	0.00209841235644288	0	0.00629523706932863	300	0.0188857112079859	2
+mz_305	305	0.0796497795316908	0	0.238949338595072	300	0.716848015785217	2
+mz_305.08	305.083343505859	0.0648168990010323	0	0.194450696222696	299.999998795992	0.58335209100929	3
+mz_305.17	305.166687011719	0.0128213793373731	1.23338206314827e-09	0.0384315193616293	299.745591721205	0.115392414036358	6
+mz_305.25	305.25	5.93803623194346e-06	2.08315351080124e-10	9.04568950179639e-06	152.334697001938	5.34423260874911e-05	5
+mz_305.33	305.333343505859	1.02125850294356e-06	0	1.55306975093192e-06	152.074107236858	9.19132652649202e-06	4
+mz_305.42	305.416687011719	5.6361736265763e-12	0	1.69085208797289e-11	300	5.07255626391867e-11	1
+mz_305.5	305.5	6.30638996327767e-23	0	1.8919169889833e-22	300	5.6757509669499e-22	1
+mz_305.58	305.583343505859	6.68269422021694e-06	0	2.00480826606508e-05	300	6.01442479819525e-05	2
+mz_305.67	305.666687011719	0.0116001995150784	0	0.0347933325580567	299.93736325682	0.104401795635706	4
+mz_305.75	305.75	0.0517409352518682	1.02237303638199e-13	0.155222110151307	299.998655601615	0.465668417266814	6
+mz_305.83	305.833343505859	0.0386702214149451	6.4170618818693e-10	0.0718013026854534	185.675954412053	0.348031992734506	6
+mz_305.92	305.916687011719	0.13187212394045	4.76296085905048e-11	0.204754510134581	155.267469739884	1.18684911546405	6
+mz_306	306	0.093374473353227	3.22355374818131e-26	0.127272200724783	136.302991764488	0.840370260179043	5
+mz_306.08	306.083343505859	0.0462268388716615	0.0029807505197823	0.0873811856584773	189.026954451875	0.416041549844954	6
+mz_306.17	306.166687011719	0.0364131685220543	0	0.0775997829008318	213.10911972363	0.327718516698489	4
+mz_306.25	306.25	0.0460778634993122	0	0.133310424903793	289.31555150291	0.41470077149381	4
+mz_306.33	306.333343505859	0.014260364147655	0	0.0427713840187369	299.931920222179	0.128343277328895	3
+mz_306.42	306.416687011719	0.00134482314004142	0	0.00403217549987054	299.829425878732	0.0121034082603728	3
+mz_306.5	306.5	0.00189409734088504	2.27068071012582e-07	0.00565268990048042	298.437138285571	0.0170468760679654	6
+mz_306.58	306.583343505859	0.0599772776550809	5.80716914555524e-06	0.179918496171896	299.977763590032	0.539795498895728	5
+mz_306.67	306.666687011719	0.0798387217685483	4.84473162032373e-07	0.232044540719017	290.641602945137	0.718548495916935	6
+mz_306.75	306.75	0.0483982434428468	0	0.0999096426256132	206.432373405444	0.435584190985621	4
+mz_306.83	306.833343505859	0.0617299368716024	6.69938178554392e-15	0.113290750244665	183.52643139796	0.555569431844421	6
+mz_306.92	306.916687011719	0.143109811340562	3.1963308495815e-22	0.322732694182016	225.514023922511	1.28798830206506	5
+mz_307	307	0.0865392121970593	1.36712752230039e-09	0.167661727155495	193.740759707531	0.778852909773534	6
+mz_307.08	307.083343505859	0.171848945720157	8.10568667741762e-10	0.263380423525813	153.262752018688	1.54664051148141	5
+mz_307.17	307.166687011719	0.191594037079601	1.36933325789457e-10	0.475640880356136	248.25453213793	1.72434633371641	6
+mz_307.25	307.25	0.0641967634052464	0	0.184259797295967	287.023500130084	0.577770870647218	4
+mz_307.33	307.333343505859	0.00755179342865964	0	0.0226553802667557	299.999999745449	0.0679661408579368	3
+mz_307.42	307.416687011719	3.29654964540775e-06	0	9.88964893622324e-06	300	2.96689468086697e-05	2
+mz_307.5	307.5	1.61171919899061e-06	0	4.83515759697184e-06	300	1.45054727909155e-05	2
+mz_307.58	307.583343505859	8.68377230492937e-06	6.32724560923323e-28	1.95697009590185e-05	225.359443705239	7.81539507443643e-05	5
+mz_307.67	307.666687011719	0.00757254056044234	2.49612969318658e-14	0.0226882725121841	299.61242638572	0.068152865043981	5
+mz_307.75	307.75	0.0475975210998432	1.68380843139647e-15	0.14276559708345	299.9433453351	0.428377689898588	6
+mz_307.83	307.833343505859	0.025837956346551	0	0.0775082751899911	299.978350262742	0.232541607118959	4
+mz_307.92	307.916687011719	0.00990257581093832	2.88728702838803e-30	0.0199985577338779	201.953088930535	0.0891231822984448	5
+mz_308	308	0.0393918359445201	0	0.106842575637801	271.230251335021	0.354526523500681	3
+mz_308.08	308.083343505859	0.0536023532150635	2.15049732556381e-31	0.109690337501271	204.637167814576	0.482421178935571	5
+mz_308.17	308.166687011719	0.0444874749610589	0	0.0905235417801648	203.480961460282	0.40038727464953	4
+mz_308.25	308.25	0.114391158068432	1.07128284679193e-25	0.234190479935161	204.727781315984	1.02952042261589	5
+mz_308.33	308.333343505859	0.0500383744822304	5.23928441327148e-26	0.101314600621955	202.473804695503	0.450345370340074	5
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+mz_308.5	308.5	4.45116496747586e-08	0	1.33534949024276e-07	300	4.00604847072827e-07	2
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+mz_308.67	308.666687011719	6.61350825256624e-07	0	1.98405237287867e-06	299.999984442266	5.95215742730962e-06	3
+mz_308.75	308.75	4.51305010572246e-06	4.07646813646413e-22	1.15744836967723e-05	256.466988525036	4.06174509515022e-05	6
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/features_test2.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,101 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/features_test4.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,101 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/features_test6.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,21 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/features_test7.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,101 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/featuresofinterest5.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,31 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/inputcalibrantfile1.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,3 @@
+101.5
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/inputcalibrantfile2.txt	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,3 @@
+869.51	mass1
+1111.1	mass2
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/inputpeptides.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,3 @@
+152	mass1
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/inputpeptides2.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,4 @@
+854.5
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/inputpixels_2column.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,6 @@
+1	A	1
+1	B	2
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/int_matrix1.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,1200 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/int_matrix3.tabular	Mon Oct 01 01:01:41 2018 -0400
@@ -0,0 +1,1200 @@
+mz_name	xy_1_1	xy_2_1	xy_3_1	xy_1_2	xy_2_2	xy_3_2	xy_1_3	xy_2_3	xy_3_3
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