Open XRD files without DIFFRAC.EVA, HighScore or SmartLab Studio
Powder diffractometers save their measurements in vendor formats that only the instrument
software reads well. This converter opens Bruker, Malvern Panalytical/Philips, Rigaku, Shimadzu
and GSAS files directly and gives you the pattern as a two-column .xy, an .xye with uncertainties for
Rietveld refinement, a CSV and an Excel workbook with a chart, plus a standard XRDML file that
HighScore, GSAS-II and Profex open.
What to upload
| Instrument / software | Files | What is read |
|---|---|---|
| Bruker D2 PHASER, D8 ADVANCE/DISCOVER (DIFFRAC.SUITE, DIFFRAC plus, Diffrac-AT) | .brml (the usual ZIP and the single-XML file), .raw (all four versions: RAW4.00, RAW1.01, RAW2, RAW ), .uxd, DIFFRAC text exports | every range/scan, wavelengths and anode, step, counting time, generator, drives; temperature of each range in non-ambient series |
| Malvern Panalytical Empyrean, Aeris, X'Pert (Data Collector, HighScore) | .xrdml (versions 1.0–2.3), .rd/.sd, .udf, HighScore CSV exports | all scans (2θ, ω, φ … scans), attenuation factors, counting time, tube, wavelengths |
| Rigaku SmartLab, MiniFlex, Ultima, ATX (SmartLab Studio, PDXL) | .ras, .rasx, .asc, .dat text, binary .raw | all blocks/profiles and ranges, attenuator factors, scan speed and time per step, tube and wavelengths, slits, detector |
| Shimadzu (XRD software) | binary .raw | the 2θ scan, anode and wavelength, tube voltage and current, slits, scan mode, scan speed and time per step |
| GSAS / Rietveld | .gsa, .gsas, .xra, .fxye, .xye, .xy | constant-wavelength banks (STD, ESD, FXYE), plain columns |
| Intensities only | .xy, .txt, .dat with one number per line | the counts, placed on the 2θ scale from the start angle and step you enter under More options |
Upload the file the diffractometer software saved. Several files, or a .zip of a folder, can be
converted together.
What you get
- .xy: angle and intensity, space-separated, no header: opens in every analysis program.
- .xye: adds the standard uncertainty (√counts, or the value stored in the file).
- CSV: all scans of the file with units in the header; choose the decimal-comma version if your Excel uses one.
- Excel workbook: each scan with a ready-made chart, all scans on one sheet, and a metadata sheet with every setting found in the file.
- XRDML: a PANalytical XRDML 1.5 file with the original angles, counts, counting time and wavelengths, valid against PANalytical's published schema.
- Picture: a PNG plot of the pattern (1600 × 1000 pixels) with labelled axes, ready for a lab report or a slide.
- Conversions: d-spacing, Q, or 2θ recalculated for Cu Kα1 (handy for comparing a Co- or Mo-tube pattern with Cu reference data), and counts per second or normalised intensities.
When you upload several files, you also get a combined table and workbook, one picture with all
patterns, and ZIPs of the .xy/.xye and XRDML files for every file.
How accurate is it?
The Bruker, Panalytical and Rigaku readers were compared point by point with exports made by the
vendor software from the same measurement (DIFFRAC text and .xy exports, XCH .uxd files,
HighScore CSV and .xy exports, SmartLab .xy and PDXL .asc exports) and with the independent
GSAS-II and xrayutilities readers. Counts agree exactly and angles to the last digit the exports print. The only
difference you may see is in Philips .rd files, which store counts in a compressed form that
rounds them by up to 0.5 %; that is how the format works, and we say so in the file details.
Shimadzu .raw support is new: its angles are checked against the start, end and step stored in
the file, but no Shimadzu export of the same measurement has been available yet to compare the
counts with.
Privacy
Files are processed on our server only to produce your downloads. Uploads are deleted when the conversion finishes and results are deleted automatically after 30 minutes.
Not supported yet
STOE WinXPOW .raw files are recognised and reported as not supported; export them as .xy
in WinXPOW for now. 2D detector images must be
integrated to a 1D pattern first.