Background and peak fitting of x-ray diffractograms with R and the diffractometry package

• Record an x-ray diffractogram with a diffractometer of your choice
• Export your diffractogram as ASCII with angles vs counts (should be actual counts, i.e., integer values)
• Read your x and y values into an R dataframe using a script suitable for the format of your ASCII-file
• Strip the Cu Ka2 contribution from your diffractogram not yet implemented
• Fit the background using the baselinefit() function of the diffractometry package
• Fit the peaks using the pkdecompint() function of the diffractometry package
• Plot your experimental diffractogram, the fitted background and the fitted peaks using ggplot2
• Make a nice LaTeX table with all the fitted peaks and their physical parameters
• Compare your diffractogram's peaks to reference diffractograms