Assessing Data Quality


The first step after data processing is analysis of the diffraction data to assess quality and detect any pathologies that might make structure solution difficult. Data quality can be quantified in terms of resolution of diffraction, anomalous signal-to-noise, and consistency with prior knowledge about diffraction from crystals. Possible pathologies include twinning, translational non-crystallographic symmetry, anisotropy, and missed symmetry elements.


In Phenix the phenix.xtriage program is used to analyze data to assess quality and detect possible problems. For most uses the program only needs to be given a reflection file containing the data set you wish to analyze. Running phenix.xtriage will generate information about the data set, which are best viewed in the GUI as graphs and tables. An overall assessment of the data is given in the first section of the output.

How to use the phenix.xtriage GUI: Click here

Common issues

Related programs and Documentation

Phenix reference manual for phenix.xtriage