XRDCALC

XRDCALC is a professional CAD application whose purpose is to help you apply the X-ray diffraction method in order to analyze the crystal structure of crystalline materials, such as mineral, metal, alloy, inorganic and organic ones. This exploration method is particularly useful for the mining and chemical fields.

You need to import powder diffraction data from RRuff, Sietronics or ScanPI files in order to perform a quantitative analysis.

The tool adopts a clean interface that allows you to work with multiple spreadsheets at the same time. Data can be imported from various file formats, such as CSV, TXT, CPI, DAT or RRUFF, or you may opt for manually inserting the information in a new spreadsheet.

When it comes to exporting options, you may print the information or save data to XRC, TXT or CSV file format. The tool is able to calculate and generate graphs for helping you visualize the information related to mineral powder diffraction, and allows you to export the graphs to BMP file format or copy them to the clipboard.

XRDCALC gives you the possibility to copy, cut or paste cells from the current spreadsheet, insert or delete rows, as well as find and replace data. You can sort the information by two-theta, d-spacing, intensity or crystal name.

You can carry out quantitative analysis using area under peaks, plot two-theta and d-spacing vs intensity stick plots and peak profile, plot digital scan files, extract peaks from scan files, and perform intensity conversion to percentage operations.

What’s more, you are allowed to assign crystal colors or enable the automatic mode, perform a search/match of the built-in mineral database using the digital scan file or enable the manual mode for performing a search/match of the built-in mineral database using the peaks in the current spreadsheet, as well as back up your database.

Last but not least, you can calculate two-theta values from d-spacings or d-spacings from two-theta values, insert standard column headings into the spreadsheet, set the radiation and wavelength used in the d-spacings and 2-theta calculations, and open the built-in Mineral XRD Database which comprises over 3700 minerals with mineral name and three strongest d-spacings.

To sum it up, XRDCALC comes with an impressive suite of features for helping you perform a quantitative analysis, and is suitable especially for professional users.