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Introduction

QualX is designed around a simple workflow:

Import pattern → Data Reduction → Search & Match → Accept phases

Main Window

The main window is divided into several panels:

  • Graphic area (centre): displays the diffraction pattern, background, peaks and accepted phase reflections
  • Results List (bottom/right dock): ranked list of candidate phases
  • Peaks (dock): list of experimental peaks
  • Peak Compare (dock): overlay of selected card reflections vs. experimental peaks
  • Quantitative (dock): accepted phases with RIR percentages. The RIR value is actively used to perform a semi-quantitative analysis, shown as a pie chart
  • Report (dock): summary report of the analysis

Workflow Overview

  1. Import a diffraction pattern (File → Import Diffraction Pattern)
  2. Background: estimate and optionally subtract the background
  3. Peak Search: detect peak positions and intensities
  4. Search/Match: query the database and rank candidate phases by FOM
  5. Accept: move identified phases to the Quantitative panel
  6. Save the project (.qxp) to resume later

See the individual sections for detailed instructions.