Convert — Excel To Xrdml High Quality
Converting an Excel file to the format (an XML-based format used primarily by Malvern PANalytical instruments) is a specialized process. Because XRDML contains specific metadata about instrument configuration and experimental parameters that a flat Excel spreadsheet lacks, you cannot simply "save as" XRDML.
- XRDML Converter (free online tool): Upload your Excel file and download the converted XRDML file.
- Specular Reflectivity (software): A comprehensive tool for X-ray diffraction data analysis, including Excel to XRDML conversion.
The 3 Pitfalls of Bad Conversion:
- Interpolation Artifacts: XRD data is collected at discrete steps (e.g., 0.01° 2θ). If your Excel import script tries to "smooth" or re-sample the data to fit a template, you lose resolution. High-quality conversion preserves the native step size and counting time.
- Metadata Omission: A raw Excel sheet usually has a column for
2ThetaandCounts. But it lacks anode type. Without knowing the wavelength (e.g., Cu K-alpha 1.54056 Å), Bragg’s law fails, and your d-spacings will be wrong. High quality means embedding this metadata. - Intensity Scaling: Some conversion tools accidentally truncate high-intensity peaks or flip the Y-axis. Your converted XRDML must maintain the absolute or relative intensity integrity for Rietveld refinement.
Advanced Convert
Download: Available via Software Informer or official developer mirrors. convert excel to xrdml high quality
: This professional analysis suite can be configured to read Excel ( ) files directly. Program Settings Automatic Processing as "additionally supported file extensions". Once the file is open, you can save it in the native XRdelicious (Online) Converting an Excel file to the format (an
Parameters:
- excel_path: path to Excel file
- sheet_name: sheet name or index (default 0)
- two_theta_col: column name for 2θ values
- intensity_col: column name for intensity values
- output_path: output .xrdml path (default: same name with .xrdml)
- xray_wavelength: Cu Kα wavelength in Å (default 1.5406)
- step_size: step size in degrees (auto-calculated if None)
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