MacPDF

Interactive Phase Identification Module

This module provides a set of interactive tools for identification of unknown phases in diffractometer traces. Candidate phases are superimposed on a diffraction trace containing the unknown phase to be identified.

To analyze the trace, markers are set at the trace's strongest peaks. Markers can be located mumerically by d-space or 2-theta. The markers are searched, producing a search object containing all of the PDF Cards having strong lines indicated by the markers. The resulting search object matches are installed directly in the module's Match list and can be displayed as a stick graph superimposed upon the trace and any previously installed phases.

In this way you can search for reference phases containing peaks corresponding to the unidentified peaks of the unknown and compare peaks of the reference phases with unidentified peaks of the unknown. When a successful match has been found, its peaks can be subtracted from the unknown and the whole process repeated until all unknown phases are identified. After all peaks have been identified, any remaining or rejucted peaks are removed from the candidate list to yield a list containing the final analysis of the unknown.