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Descrizione del Software

RootProf applies multivariate analysis to diffraction or spectroscopic measurement profiles. Profiles can be pre-processed and the analyses include:

  1. Qualitative Analysis: Groups profiles by features using principal component analysis (PCA).
  2. Quantitative Analysis: Assesses weight fractions of components in powder mixtures via MultiFit (accurate but slow) or Unfolding (faster, less accurate). PCA combined with MultiFit is used for multiple mixtures.
  3. Morphological Analysis: Determines crystallite sizes from X-ray diffraction peak widths.
  4. Crystallinity Analysis: Assesses crystallinity degree via profile fitting.
  5. Covariance Analysis: Correlates features from different techniques using covariance matrices.

Results include text, histograms, and interactive graphics, driven by a user-generated command file.


Rocco Caliandro

Istituto di Cristallografia (CNR)

Codice Software