If you use this program in academic work, please cite:
A. Boulle, “DxTools: Processing large data files recorded with the Bruker D8 diffractometer”, J. Appl.Cryst. 50, 967-974 (2017). Link to article.
In a terminal run (as root)
apt install python3 python3-scipy python3-matplolib.
In the DxTools folder, run the program with
If you have a Python 2.7 installation that you want to keep, you will need to have a separate installation of Python 3.
A simple way to manage different Python environments is to use the Anaconda distribution.
After installation, in a command window create a Python 2.7 environment with
conda create -n py27 python=2.7 anaconda
and a Python 3.5 environment with
conda create -n py35 python=3.5 anaconda.
Switch from one to another with
activate py27 and
Download DxTools and uncompress the archive to your hard drive.
In a command-line window, move to the DxTools folder and run the program with
python dxtools.py (Windows) or
python3 dxtools.py (Linux).
The typical workflow with DxTools is the following:
The processed data files are automatically saved to your hard drive in the same folder as the input data. The figures can be saved from the interface. While processing, a temporary tmp file (containg all raw data) is written in the DxTools folder. It is automatically deleted upon closing.
DxTools automates data formating for most major laboratory XRD experiments:
Depending on the type of experiment, several data exporting options are available. No modification is brought to the intensity values. The raw data is only rearranged in various formats.
When relevant, the peak position, width and area are plotted vs. the secondary scanning axis. This can be done in 2 ways:
Note that is only relevant when there is one single peak in the scanned area.
The data range can be cropped along the primary and secondary scanning axes by specifying the number of data points to be removed at the beginning and the end of the scanning ranges. This is useful to eliminate artifacts at the edges of the 1D detector or reduce an otherwise excessive scanning range.
For the moment, DxTools suppports Bruker’s uxd and brml file formats.