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LIPRAS, Line-Profile Analysis Software

LIPRAS [LEEP-ruhs], short for Line-Profile Analysis Software, is a graphical user interface for least-squares fitting of Bragg peaks in powder diffraction data. For any region of the inputted data, user can choose which profile functions to apply to the fit, constrain profile functions, and view the resulting fit in terms of the profile functions chosen.

If you use LIPRAS for your research, please cite it:
Giovanni Esteves, Klarissa Ramos, Chris M. Fancher, and Jacob L. Jones. LIPRAS: Line-Profile Analysis Software. (2017). DOI: 10.13140/RG.2.2.29970.25282/3

The installation directory should have the LIPRAS Manual and SampleData, otherwise refer to GitHub page below.

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Website https://sneakysnail.github.io/LIPRAS/
Tags
Platform
Features
  • Quickly extract relevant peak information about the position, full width at half maximum (FWHM), and intensity
  • Customize the background fit by either treating it separately (Polynomial or Spline) or including it in the least-squares routine (Polynomial only)
  • Fit up to 20 peaks in the current profile region
  • Choose from 5 different peak-shape functions: Gaussian, Lorentzian, Pseudo-Voigt, and Pearson VII, and Asymmetric Pearson VII
  • Peak-shape functions can be constrained in terms of intensity, peak position, FWHM, and mixing coefficient
  • Automatically calculate Cu-Kalpha2 peaks when working with laboratory X-ray data
  • Change any of the starting fit values and instantly view a sample plot of the fit, before conducting a fit
  • For multiple diffraction patterns, results from previous fit are subsequent starting parameters for next fit
  • Visualize results with a plot of the resulting peak fit and residual plot
  • Resulting coefficients values can be viewed with file number
  • Parameters files can be written and used to recreate fits and detail what fit parameters and profile shape functions were used
  • Accepts the following file types: .xy, .xls, .xlsx, .fxye, .xrdml, .chi, .csv (Windows Only)