XRDCALC is a Windows powder diffraction utility for identifying phases, calculating and plotting powder diffraction data. XRDCALC calculates d-spacings and two-theta and plots digital scan files, two-theta or d-spacing vs intensity stick plots and peak profiles. Designed for mineral powder diffraction data.
Summary of Features
- Windows XP, Vista, Windows 7, 8, 10
- Converts between two-theta and d-spacings
- Import ASCII, RRuff (*.rruff), Sietronics (.cpi), DBW (.dat) and ScanPI (.dat) Files
- Plot ASCII, RRuff (*.ruff), Sietronics (.cpi), DBW (.dat) and ScanPI (.dat) Scan Files
- Refine and filter peaks
- Automatic and manual search/match
- Quantitative analysis using area under peaks
- Plot digital scan files
- Extract peaks from scan files
- Plot two-theta and d-spacing vs intensity stick plots and peak profiles
- Intensity conversion to percentage
- Choice of labels and fonts
- Drawing and text tools
- Adjustable stick width
- Copy graphs to the clipboard or save as bitmap files
- Sort data numerically or alphabetically
- Spreadsheet with multiple document interface, clipboard support, search/replace and undo
- Color or BW printing
- Output to bmp and pdf files
- With builtin mineral XRD database for over 3700 minerals.
- Strongest three d-spacings and mineral name. Search for d1, d2 and d3
- Print search results
- Html help system
- Free internet updates
Data can be sorted by d-spacing, two-theta, intensity or crystal name. Convert between two-theta and d-spacing. Calculations are solved using wavelengths selected from a list or entered via the keyboard. There is numeric formatting of two-theta and d-spacing, a multiple document interface, search/replace and clipboard support. Spreadsheet functions include extract and refine peaks and search/match.
Plot Scan Files
Plots ASCII, RRuff (*.ruff), Sietronics (.cpi), DBW (.dat) and ScanPI (.dat) scan files as digital xrd pattern plots. Choice of fonts, colors and labels. Extracts peaks and performs search/match. Plot overlay scan file.
Stick Plots and Peak Profiles
Select from two-theta vs intensity or d-spacing vs intensity stick plots or peak profiles. The scale can be calculated automatically or set manually. Choose from d-spacing, two-theta, intensity, crystal name, code or user specified labels. Labels can be placed on any number of sticks. Auto color assigns a different color to each crystal. stick widths are adjustable. Sticks can be marked in different colors and linestyles. Normal or extra wide graphs. Peak profiles plots peaks as curves.
Print stick plots, peak profiles or scan files. Graphs can be customized with labels and graph titles.
Mineral XRD Database
Built in Mineral XRD Database for all minerals. With strongest 3 d-spacings and mineral name. Search 3 strongest d-spacings and mineral name and print search results.