Application report


For nearly all research topics the STOE powder data increment of 0.015° 2theta is fully sufficient. But what can be done when a higher number of data points is necessary, e.g. for ultra-precise profile calculations or for the investigation of splitting reflections in the course of a phase transition?

Here is an explanation of an easy way to reduce the internal step width to 0.005°:

Create a raw-file with three ranges, the first from n.000° to m.000° the second from n.005° to m.005° 2theta and the third from n.010° to m.010° 2theta and start the data collection.

After the measurement open the raw-file with the WinXPOW Raw Data Handling tool and chose the Export function in the File menu. Select the destination folder of the ASCII xy-file and tick Merge Ranges.

The resulting ASCII xy-file from n.000° to m.010° 2theta is written into the destination folder and can be used by any popular Rietveld software or re-imported as a STOE raw-file using the Import function of the WinXPOW Raw Data Handling.

The following example is Transmission data from Si powder (NIST 640c), measured from 5.000° to 116.010° 2theta in three ranges with a 0.005° offset on a STOE STADI MP with Cu Kalpha1-radiation and a Dectris MYTHEN2 1K (1.11° steps, 10s/step).

The effect of the lower increment of the data set can be seen in the magnified areas of the pattern showing the Si111 reflection from 28.25° to 28.55° 2theta, red the standard data point increment of 0.015° and blue the lowered increment of 0.005° 2theta.

Note: Executing this artifice, the data of the three ranges will only be merged but not summed up.

Feel free to contact us for any questions:

Thomas Hartmann
Dr.-Ing. / Powder Diffraction & Sales
P +49 (0) 6151 9887 21
F +49 (0) 6151 9887 88

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