comparison NmrBucketing_script.R @ 1:301d7adf862e draft

planemo upload for repository https://github.com/workflow4metabolomics/nmr_bucketing commit df8740e6849320412c96468d3c99830b25b9f0d6

0:a99a6026c972

    # Graphic Device opening
    pdf(nomFichier,onefile=TRUE)

    if (graph == "Overlay")
    {
      ymax <- max(bucketedSpectra)
      plot(1:length(bucketedSpectra[,1]),bucketedSpectra[,1],ylim=c(0,ymax),type='l',col=1,xlab="Chemical shift",ylab="Intensity")
      for (i in 2:ncol(bucketedSpectra))
      {
        spectre <- bucketedSpectra[,i]
        lines(spectre,col=i)
      }

    }
    else
    {
      for (i in 1:ncol(bucketedSpectra))
      {
        plot(1:length(bucketedSpectra[,i]),bucketedSpectra[,i],type='l',col=1,xlab="Chemical shift",ylab="Intensity")
      }
    }
    dev.off()
  }
  return(list(bucketedSpectra,sampleMetadata,variableMetadata)) # ,truncatedSpectrum_matrice

1:301d7adf862e

    # Graphic Device opening
    pdf(nomFichier,onefile=TRUE)

    if (graph == "Overlay")
    {
      x <- 1:length(BucketedData[,1])
      ymax <- max(bucketedSpectra)
      plot(x,BucketedData[,1],ylim=c(0,ymax),type='l',col=1,xlab="",xaxt="n",ylab="Intensity")
      # x-axis labels
      axis(1, at=seq(1,length(x),by=50),labels=gsub("B","",rownames(BucketedData)[seq(1,length(x),by=50)]), las=2)
      for (i in 2:ncol(bucketedSpectra))
      {
        spectre <- bucketedSpectra[,i]
        lines(spectre,col=i)
      }

    }
    else
    {
      for (i in 1:ncol(bucketedSpectra))
      {
        x <- 1:length(BucketedData[,1])
        plot(x,bucketedSpectra[,i],type='l',col=1,xlab="",xaxt="n",ylab="Intensity")
        axis(1, at=seq(1,length(x),by=50),labels=gsub("B","",rownames(BucketedData)[seq(1,length(x),by=50)]), las=2)
      }
    }
    dev.off()
  }
  return(list(bucketedSpectra,sampleMetadata,variableMetadata)) # ,truncatedSpectrum_matrice