\(\renewcommand\AA{\unicode{x212B}}\)
SaveReflections dialog.
Table of Contents
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| InputWorkspace | Input | IPeaksWorkspace | Mandatory | The name of the peaks worksapce to save |
| Filename | Input | string | Mandatory | File with the data from a phonon calculation. |
| Format | Input | string | Fullprof | The output format to export reflections to. Allowed values: [‘Fullprof’, ‘GSAS’, ‘Jana’, ‘SHELX’] |
| SplitFiles | Input | boolean | False | If True save separate files with only the peaks associatedwith a single modulation vector in a single file. Only applies to JANA format. |
Save a PeaksWorkspace to a variety of different text formats. This algorithm currently provides support for exporting a PeaksWorkspace to GSAS, SHELX, Fullprof, and Jana formats.
Example - a simple example of running SaveHKL.
import os
path = os.path.join(os.path.expanduser("~"), "MyPeaks.hkl")
#load a peaks workspace from file
peaks = LoadIsawPeaks(Filename=r'Peaks5637.integrate')
SaveReflections(peaks, Filename=path)
print(os.path.isfile(path))
Output:
True
Categories: AlgorithmIndex | DataHandling\Text | Crystal\DataHandling
Python: SaveReflections.py