Published February 6, 2026 | Version v1
Dataset Open

Investigations on Samples of the Clemens-Winkler Collection with synchrotron radiation

Description

File description:

XRF-DESY.zip
-> Subfolder raw: mca files received from XRF detectors at DESY. The detector is part of the file name (CdTe or SSD), and the used filter, if used, is part of the file name (e. g., Al10)
-> Subfolder processed: JCAMP_DX files with all relevant metadata. There are multiple spectra in one file. You may use this software to open the files: https://github.com/herbigm/pyspective

hh-XRF.zip
-> files of the XRF measurements with the handheld XRF device in JCAMP-DX format. There are multiple spectra (all filters) in one file. You may use this software to open the files: https://github.com/herbigm/pyspective

Raman.zip
-> The files are in OceanInsight txt format. Starting at line 15, there are two columns: Raman shift and intensity. The columns are separated by a <tab>. The decimal separator is “,”. Lines 1 to 14 are metadata.
-> Subfolder objects: Raman spectra of the objects in the Clemens-Winkler collection, measured through the glass ampoule.
-> subfolder own_synthesis: Raman spectra of Y2[Pt(CN4)]3 . 21 H2O from synthesis. 

XRD_DESY.zip
-> raw data from the XRD and SAXS measurements at DESY (82.5 keV) in subfolders. Use LaB6-Standard files and AgBehenat-Standard for calibration and integration with pyFAI. 

XRD_DESY_processed.zip
-> Data processed with pyFAI and a calibration (LaB6). V2 and V3 are the XRD detectors, and V4 is the SAXS detector. “Sweep” as a suffix of the filename means the object was rotated while measuring, and the data is obtained by summarizing all images collected while rotating. 

XRD_DESY_recalculated.zip
-> Files of the processed data recalculated to Cu K alpha radiation wavelength in JCAMP-DX format. You may use this software to open the files: https://github.com/herbigm/pyspective

Files

README.txt

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Additional details

Funding

Deutsche Forschungsgemeinschaft
Erschließung, Digitalisierung und Visulisierung der Clemens-Winkler-Sammlung anorganisch-chemischer Präparate an der TU Bergakademie Freiberg 465474202
Deutsches Elektronen-Synchrotron DESY
Investigations of the Composition and Purity of selected objects of the Clemens-Winkler Collection I-20220311