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Getting Started

Step 1 — Install a reference database

Before running the first search, at least one crystallographic reference database must be installed. QualX automatically detects databases placed in the QualXDB folder inside your home directory.

For download links, installation instructions and advanced configuration see the Database Installation page.

Step 2 — Import a diffraction pattern

  1. File → Import Diffraction Pattern (or drag-and-drop a file onto the graphic area)
  2. Supported formats: .xy, .dat, .xrdml, .gda, .xye, .rtv
  3. The pattern appears in the graphic area

Step 3 — Background

  1. Pattern → Background → Generate Background
  2. Adjust parameters in the Background dialog
  3. Optionally subtract: Pattern → Subtract Background
  1. Pattern → Peaks → Peak Search
  2. The detected peaks appear as vertical markers in the graphic area
  3. Fine-tune with Pattern → Peaks → Peak Search Conditions

Step 5 — Search & Match

  1. Search → Search & Match
  2. QualX queries the database and shows ranked results in the Results List
  3. Select a card to view its reflections overlaid on the experimental pattern

If Step 3 and/or Step 4 are skipped and Search & Match is run directly, QualX automatically performs the missing steps (Background and/or Peak Search) before running the search.

Step 6 — Accept a phase

  1. Select a card in the Results List
  2. Click Accept (✓ button) — the phase moves to the Quantitative panel
  3. If residual search is enabled in the Search & Match Options dialog, QualX automatically performs a residual search on remaining peaks — see the Search & Match page for details

Step 7 — Save the project

File → Save Project As saves a .qxp file containing the pattern data, peaks, results and accepted phases.