XRDCALC is a dedicated Windows-based powder diffraction software utility designed primarily for processing, converting, and plotting X-ray diffraction (XRD) data, with a specific focus on mineral phase identification. Developed as commercial software by Geologynet, it functions as a highly specialized toolkit for geologists, mineralogists, and materials scientists who need to bridge raw diffraction scans with actionable mineral analysis.
The software is available for purchase online directly through the Geologynet Store. Core Features & Technical Capabilities
XRDCALC serves as a complete offline companion for managing powder XRD data:
Built-in Mineral Database: It includes an integrated, comprehensive database containing diffraction data for over 3,700 minerals, allowing you to check the strongest three d-spacings for instant mineral name matching.
Data Conversion: Converts seamlessly between diffraction angles (2θ) and interplanar d-spacings using standard X-ray wavelengths.
File Format Compatibility: Imports and plots digital scan data from highly standard scientific formats including ASCII, RRuff (.rruff), Sietronics (.cpi), DBW (.dat), and ScanPI (.dat).
Peak Extraction & Phase Matching: Features tools to extract and refine peaks from noisy raw scan files. It supports both manual and automatic search/match sequences to isolate specific crystal phases.
Quantitative Estimation: Allows users to calculate the area under diffraction peaks to perform basic quantitative phase distribution analyses.
Graph Customization: Generates highly adjustable two-theta or d-spacing vs. intensity stick plots and peak profiles. Users can alter labels, fonts, and stick widths, utilizing built-in drawing and text layout tools.
Seamless Reporting Export: Graphs can be printed directly in color or grayscale, copied straight to the system clipboard, or exported natively into high-quality BMP and PDF files for academic publications or industrial reports. Layout and Interface
XRDCALC runs locally within a Microsoft Windows environment. Rather than navigating restricted commands, the application uses a Spreadsheet with a Multiple Document Interface (MDI). This allows users to open, view, and compare multiple diffraction scans or spreadsheets side-by-side, complete with standard operational features like full undo/redo strings and comprehensive search-and-replace capabilities.
If you are planning to purchase or implement this software, tell me:
What specific XRD file extension or format your diffractometer generates (e.g., RAW, BRUKER, PANalytical)?
Do you require advanced structural modeling like Rietveld refinement, or are you primarily focused on mineral phase matching? XRDCALC – Geologynet
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