# Add mandatory sample info sample = ET.SubElement(measurement, "sample") ET.SubElement(sample, "name").text = sample_name
intensities_elem = ET.SubElement(dataPoints, "intensities", unit="counts") intensities_elem.text = ";".join(str(int(y)) for y in intensities) convert excel to xrdml
XRDML is an XML-based markup language used to store and exchange XRD data. It provides a standardized format for representing XRD experiments, including data related to the measurement, sample, and instrument. XRDML files typically contain information such as: # Add mandatory sample info sample = ET
| Metadata Field | Typical Value | How to add | |----------------|---------------|-------------| | Wavelength (Å) | 1.5406 (Cu Kα) | <source><wavelength unit="Å">1.5406</wavelength></source> | | Step size (°) | 0.02 | <stepSize unit="deg">0.02</stepSize> | | Scan speed (°/min) | 2.0 | <scanSpeed unit="deg/min">2.0</scanSpeed> | | Generator power (kV,mA) | 45, 40 | <generator><voltage unit="kV">45</voltage><current unit="mA">40</current></generator> | Unlike a simple two-column spreadsheet, XRDML is structured
Before converting, it helps to understand what XRDML contains. Unlike a simple two-column spreadsheet, XRDML is structured hierarchically:
In Python, insert these elements under <instrument> before <dataFile> .
