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QualX

QualX is a software for qualitative X-ray powder diffraction analysis. It allows phase identification of crystalline materials by comparing experimental diffraction patterns against reference databases.

Features

  • Import and visualize powder diffraction patterns
  • Background estimation and subtraction
  • Automatic and manual peak search
  • Search/Match against crystallographic databases (COD, PDF-2)
  • Figure of Merit (FOM) scoring for phase identification
  • Quantitative phase analysis (RIR method)
  • Project save/load (.qxp format)

Citing QualX

If you use QualX in your research, please cite one of the following works:

  1. Altomare, A., Corriero, N., Cuocci, C., Falcicchio, A., Moliterni, A. and Rizzi, R., 'Main features of QUALX2.0 software for qualitative phase analysis' (2017). Powder Diffr. https://doi.org/10.1017/S0885715617000240

  2. Altomare, A., Corriero, N., Cuocci, C., Falcicchio, A., Moliterni, A. and Rizzi, R., 'QUALX2.0: a qualitative phase analysis software using the freely available database POW_COD' (2015). J. Appl. Cryst. 48, 598–603. https://doi.org/10.1107/S1600576715002319

  3. Altomare, A., Cuocci, C., Giacovazzo, C., Moliterni, A. and Rizzi, R., 'QUALX: A computer program for qualitative analysis using powder diffraction data' (2008). J. Appl. Cryst. 41(4), 815–817. https://doi.org/10.1107/S0021889808016956

Contact

IC-CNR Bari — https://www.ic.cnr.it/

Name Email
Corrado Cuocci corrado.cuocci@cnr.it
Angela Altomare angela.altomare@cnr.it
Anna Moliterni annagrazia.moliterni@cnr.it