PDIndexer is a free and open-source GUI-based application for analyzing one-dimensional powder diffraction patterns from laboratory / synchrotron X-rays and neutron time-of-flight (TOF) measurements. It displays measured profiles, overlays the diffraction lines calculated from crystal structures, processes and calibrates profiles, fits peaks to refine lattice constants by least squares, and estimates pressure from the equations of state (EOS) of standard materials. PDIndexer assists a wide range of researchers working in high-pressure science, powder X-ray diffraction, and synchrotron/neutron crystallography.

PDIndexer has been continuously developed since 2005 and is distributed together with its sister application IPAnalyzer, which converts two-dimensional detector images into the one-dimensional profiles that PDIndexer analyzes.

See the manual to learn how to use!

PDIndexer is developed by Seto Y. (Osaka Metropolitan University, Japan).

• Access https://github.com/seto77/PDIndexer/releases/latest and download the latest release.
• Recommended: download PDIndexerSetup.msi and run the installer.
• Alternative for managed Windows PCs: download PDIndexer-*-win-x64-portable.zip, extract it to a user-writable folder, and run PDIndexer.exe from the extracted folder.
• The MSI installer requires .Net Desktop Runtime 10.0 (NOT .Net Runtime 10.0), which can be installed from here.
• The portable ZIP package is self-contained for Windows x64 and does not require a separate .NET Desktop Runtime installation. It is a no-install package, but it still stores user settings and copied default data under the current user's AppData folder.
• PDIndexer is distributed under the MIT license (free for anyone to use, modify, and redistribute).

• Please download PDIndexer only from the official GitHub Releases page: https://github.com/seto77/PDIndexer/releases/latest
• On some Windows systems, Microsoft Defender SmartScreen or Smart App Control may display a warning before the installer is executed. This may happen for newly built or narrowly distributed research software, and the warning itself does not necessarily mean that the installer is malicious.
• If you would like to verify a downloaded file yourself, you can calculate its SHA256 hash in PowerShell:

Get-FileHash .\PDIndexerSetup.msi -Algorithm SHA256
Get-FileHash .\PDIndexer-*-win-x64-portable.zip -Algorithm SHA256

• For an additional check, you may also scan the downloaded file with a multi-engine service such as VirusTotal.

PDIndexer is a local desktop application. It does not collect, store, or transmit any personal or usage data, and it contains no telemetry or analytics. It runs fully offline; the bundled crystal database and all analysis features work without a network connection.

• Online manual (English / Japanese) : https://seto77.github.io/PDIndexer/
• The manual offers full-text search, a light / dark theme, and English / 日本語 language tabs.

• Overlay and compare multiple one-dimensional diffraction profiles in a single window.
• The horizontal axis can be switched between 2θ, d-spacing, and q, and the vertical axis between linear and other scales.
• Supports many file formats (e.g. csv, tsv, ras, nxs, npd, chi, xbm, rpt, and more).
• Profile processing: smoothing, K_α2 stripping, background subtraction, band-pass filtering, normalization, interpolation, and 2θ offset/calibration.
• Can receive a profile directly from IPAnalyzer via the clipboard, and can automatically watch the clipboard or a folder to load newly created profiles/crystals.

• Calculates the diffraction lines (positions and relative intensities) of known crystals and overlays them on the observed profile for phase identification.
• Built-in crystal database (~80 crystals bundled at first launch); search crystals by name, composition, lattice parameters, density, and d-spacing.
• Import / export CIF and AMCSD structure files.

• Fits the position, full width at half maximum (FWHM), and intensity of diffraction peaks with pseudo-Voigt and related profile functions.
• Refines lattice constants from peak positions by least squares.
• The Cell Finder searches for candidate lattice constants from a set of peak positions.

• Estimates pressure (and temperature) from the cell volume of a standard material using built-in equations of state (EOS), such as NaCl, Au, Pt, and MgO.
• Useful for in situ high-pressure diffraction experiments using a diamond anvil cell (DAC) or multi-anvil press.

• Batch-processes a series of profiles, tracking the evolution of 2θ, d-spacing, cell constants, FWHM, intensity, and pressure across the series.
• Results can be exported as CSV for further plotting and analysis.

• Python-syntax (IronPython) macro scripting for task automation.
  • Example: batch-load a folder of profiles, run sequential analysis, and export the results to CSV.
  • PDIndexer-specific functions are available through the PDI object.
  • The full function reference is available in the manual.

• Import crystal structures from CIF and AMC files.
• Export profiles and results to CSV, TSV, and GSAS (Rietveld) formats.