There is a whole suite of software required to run multigrain X-ray diffraction, and their installation procedure can be quite tricky if you are not comfortable with computing techniques.
The procedure below was tested with a recent Windows laptop. We proceed as follow:
You may be able to run this in windows only. This was not tested.
There are many tutorials on how to do so on the internet. Here is a quick summary of how we proceeded
Anaconda is a distribution of the python and other programming languages for scientific computing. It makes it much easier to install and manage packages without messing up your environment or interfering with the operating system.
Download Anaconda from https://www.anaconda.com/products/distribution Install anaconda
sh Download/Anconda……. (change file name according to what was downloaded)
Keep note of where anaconda will be installed, typically /home/myhome/anaconda3
Keep note of the instructions at the end of the anadonda installation as you may have to type those commands each time you start a new terminal. In our case
eval “$(/home/myhome/anaconda3/bin/conda shell.bash hook)” conda init
Within a terminal in which anaconda is activated
pip3 install fabio pip3 install silx pip3 install ImageD11
Fabian is very handy to visualize diffraction images, figure out detector orientations, identify parameters for peak extraction, etc. It is an old piece of software, but there is not real replacement at this point.
Start by installing the Pmw libray, which is required by fabian
pip3 install Pmw
Create a folder for additional software somewhere on your hard disk, called Fable-3DXRD for instance. Move into this folder and create a clone of the repository at github
cd ~/Fable-3DXRD git clone https://github.com/FABLE-3DXRD/fabian.git cd fabian python3 setup.py build python3 setup.py install
Next time, if you want to update your installation of fabian with a new version, you will not need to clone the directory. You will move into your folder and update it:
cd ~/Fable-3DXRD/fabian/ git pull python3 setup.py build python3 setup.py install
We did have a problem while install fabian, which was calling some obscure functions with OpenGL. Move looked into the fabian source code to de-activate those functions. This should be documented somewhere but we did not do it yet.
If you want to simulate data for training, you need will PolyXSim. The procedure is very similar to that we used for fabian. If you never installed PolyXSim:
cd ~/Fable-3DXRD git clone https://github.com/FABLE-3DXRD/PolyXSim.git cd PolyXSim python3 setup.py build python3 setup.py install
If you need to update PolyXSim:
cd ~/Fable-3DXRD/PolyXSim git pull python3 setup.py build python3 setup.py install
The TIMEleSS-tools include many helpers, guis, etc that were developed along with this tutorial. You will probably need them.
If you never installed the TIMEleSS-tools:
cd ~/Fable-3DXRD git clone https://github.com/FABLE-3DXRD/TIMEleSS.git cd TIMEleSS python3 setup.py build python3 setup.py install
Otherwise, if you simply want to update your local copy:
cd ~/Fable-3DXRD/TIMEleSS git pull python3 setup.py build python3 setup.py install
Grainspotter is often used to index grains. It is available on conda:
conda install -c fable grainspotter
If you made it here, you are done! You can follow other pages of this wiki to get started. Good luck!