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by L. Lutterotti using

The "FPSM method" uses a Rietveld like fitting procedure to test all possible crystal structures from a Database, rank them and find the more probable in your diffraction pattern. In the end a Rietveld phase quantification is done with the phases identified. Be aware that if a phase is not present in the database (COD is used here), it cannot be found nor quantify; so this method is limited to only the phases for which a crystal structure has been determine and has been uploaded to the COD database. This page has been constructed to permit other people to use the method and test it on their data. To use it you need to upload a datafile in proper format. Use a .prn or .txt, double column format with no title line, first column contains the 2theta coordinates (d space for TOF), the second column the intensity (corrected for incident intensity for TOF). You need also to specify some additional instrument characteristics (wavelength, geometry etc.). If the selected instrumental broadening function much the one of your instrument, then a reasonable analysis of crystallite sizes and microstrain is reported. Open Access paper: https://doi.org/10.1107/S160057671900342X

PDF download: L. Lutterotti et al. J. Appl. Cryst. (2019).

Diffraction pattern and sample characteristics

Upload diffraction pattern:

Structures db:     mineral inorganic organic metalorganic other

Atomic elements in the sample:

 Threshold phase density:  Threshold remove:  Phases maximum number:

Crystallisation:     Cell parameters isotropic expansion/contraction

Experiment details

X-ray tube:
Other : Wavelength (Ã…):

Instrument geometry:
Bragg-Brentano (theta-2theta)
Bragg-Brentano (2theta only), omega:

Instrument broadening function:

Algorithm options (Rietveld, ddm or both)

Weights type:  Smooth weight:  1st weight:  2nd weight:


Your uploaded file will not be stored locally in our server and is only kept in memory during the computation. We have nor space, nor interest on keeping your experimental data or results!
The FPSM method will not be able to find a phase if it is not present in the database. At the moment the database is constructed using all phases in the COD. So it is extremely important to contribute and donate/upload crystal structures to the COD to make it more complete.
If you are willing to give us some feedback on the analysis or results, or want to contribute to ameliorate the service, send an email to: luca_lutterotti at ing_unitn_it (substitute _ with the dot).