You will need the pandas library to read Excel and standard Python libraries to construct the XML document.
Converting Excel data to (X-Ray Diffraction Markup Language) with high quality is essential for researchers and engineers transitioning from raw experimental data handling to advanced analysis in software like PANalytical HighScore Plus.
File → Import → ASCII/Excel → Map columns → Save As → XRDML → Enable Keep original data precision .
Renaming .xls to .xrdml. This corrupts the file. ❌ Medium quality: Copy/paste into a text file as .udf. This loses scan speed & slit info. ✅ High quality: Use the native toolchain. convert excel to xrdml high quality
Ability to embed critical experimental parameters (wavelength, anode material, step size) directly into the data file.
: This widely used free utility is highly recommended by the research community for converting between various XRD formats, including Excel and RAW.
The export process rebuilds the XML schema correctly, preserving step time and geometry—critical for quantitative phase analysis. You will need the pandas library to read
X-ray diffraction (XRD) is a cornerstone technique in materials science, chemistry, and geology. Modern diffractometers from manufacturers like Malvern Panalytical use the XRDML format—an XML-based file structure—to store raw scan data, instrument metadata, and experimental configurations.
Dr. Aris knew that for his findings to be truly impactful, he needed to present them in a high-quality XRDML format, the industry standard for X-ray diffraction data. But how could he convert his intricate Excel data into a flawless XRDML file without losing any of the precious details?
Python offers the highest quality and most repeatable conversion process through libraries like pandas (for reading Excel) and xml.etree.ElementTree (for building the XRDML structure). 1. Prepare the Excel Template Organize your spreadsheet into two distinct areas: Renaming
Import your .xy or .asc file into the utility, set the input format to ASCII / Free Format, and select PANalytical XRDML (*.xrdml) as the output target.
Defines the starting position, ending position, and step size of the scan axis rather than listing every angle.