Getting the data

The data is accessible via the university network by choosing "map network drive" in the Windows file explorer, and connecting to "\\odin.nt.ntnu.no\xrd". Please email the lab responsible for the log-in details.

Analysing the data

Available software:

Name	Version	Publisher	Commonly used for	Useful links
DIFFRAC.EVA	6	Bruker	Phase identification	Topas_Workshop How to install: It is the same as EVA.
DIFFRAC.TOPAS	5	Bruker	Phase quantification	How to install: See here : Quick guide for EVA: How-to_for_EVA_v_6version1.pdf
DIFFRAC.TEXTURE		Bruker	Texture analysis measurement	Coming soon!
Vesta		JP- Minerals Free software	Visualization crystal structure	How to install and additional document are here: https://jp-minerals.org/vesta/en/
ICDD database			Check PDF card – after EVA analysis	Licenses are only installed in the lab. https://www.icdd.com/
REFLEX		Free software	Simulation and refinement X-ray reflectivity	Installation is in: https://reflex.irdl.fr/Reflex/

How to install the software on own PC via ODIN:

Open up an explorer window and go to the odin drive, as described above. Select the XRD_analysis_software folder. Double click on the relevant folder, and copy the relevant files to your computer, and start the installation (.exe) file.

Relevant for TOPAS:

For TOPAS, you will need the emission profile, instrument parameters for each instrument. This information is available in the odin-server: XRD-resources\useful_files and documents\TOPAS parameters file and in IMA-XRD teams group : TOPAS parameters file.

DaVinci1 emission profile:

A while after the X-ray tube has been changed, some W contamination wavelengths will appear. Therefore we are regularly making new measurements from a LaB6 standard in order to have an up-to-date emission profile. This can be found on the odin-server, under "useful_documents\d8_davinci_1\Topas_Refinement_Details". Select the ".lam" file that has been made before your own measurements.

D8 Focus emission profile:

Here we are using a Ni-filter which removes the extra contamination wavelengths, such that we can use the pre-written emission profile "CuKa5.lam" that is included in the Topas installation directory ("C:\TOPAS5\Lam").

How to convert your data to plot in excel or python

This is well explained in How-to_for_EVA_v_6version1.pdf pag 33

Plot your XRD data in python

The script is made for plotting XRD data exported from EVA or TOPAS in a nice and adjustable way. The figures that you get will be similar to the plot from EVA and TOPAS, see below. There are two sections one for EVA data with corresponding sticks from each phase and one for TOPAS data including the raw data, refined data, the difference, and ticks. The script takes in data in the format of text files, with the extensions of .xy (or .xye) and .uxd for EVA plotting and .txt for TOPAS plotting.

How to install and copy in your computer.

* First: The script is made for Python version 3.7 in Jupyter Notebook and requires the NumPy, os, and matplotlib packages in Python.

* Third: Copy the folder‘’ Plotting_exported_XRDdata_python’’ in your C: folder preferably. The folder is located in odin-server \xrd-resources\useful_files and documents\ or from team group IMA-XRD

* Second : All files that wil be plotted together must be in the same folder and the scripts can be run many times on different datasets by changing the "file_contain.." parameters. The folder should be saved in the folder ‘’Plotting_exported_XRDdata_python’’.

* Fourth: Open the Plot_XRD_diffractograms and make your modifications.

Plotting EVA data:

* Export all scans files to .xy (or .xye if so remember to change the extenstion in the script). See How-to_for_EVA_v_6version1.pdf pag 35

* Export any database entry to be plotted as .uxd file. See How-to_for_EVA_v_6version1.pdf pag 38.

* Repeat the two points above for all scans and structures you want to plot and save it all in the same folder

Plotting TOPAS data:

* Select the scan in Topas and press the "Save if displayed obs,Ycalc,Diff,Phase,Bkg" and save the data as a .txt file in a selected folder.

* To get the hkl ticks for a phase go to the hkls tab of the structure or hkl phase. Right click in the table and choose "Copy all/selection" and past the data in a text editing program (for example Notepad). Save the data with a sensible name in the same folder as the data in the previous point.