2DMED

2DMED it is the second out of two programs which allows implementation of Phase Sensitive Detection (PSD) and/or Modulated Enhanced Diffraction (MED) techniques on the in situ data. (Hence before using 2DMED you might what to use 2DFLT software for initial data processing ) This software takes normalized and averaged in situ data in flat file format (FLT) and performs PSD transformation which has been described in Urakawa, A.et al. Chem. Eng. Science 2008, 63, 4902. User can choose demodulation index k and perform several demodulation calculations. This is extremely important since demodulation calculations at k = 2 on in situ powder diffraction data represent implementation of MED method which been described in Chernyshov, D. et al. Acta Cryst. 2011, A67, 327. Demodulated data can be then viewed on 2D and/or 1D plot and analyses with different tools including In Phase Plot, Maximum Amplitude Plot and Positive Pattern Plot. Demodulated data also can be saved in ASCII format for further analysis.

1. Installation

There two ways to install and use 2DMED. First it is via precompiled package with executable and second by using Python-based sourcecode file in your favorite python shell.

Installing Precompiled Package

To install the software download most resent version of the precompiled self-extracting package.

https://sourceforge.net/projects/twodmed/files/

Double click on the downloaded file and the program will ask where to install the package. As default program will install itself to the route C:. I would highly recommend doing so.

After that press Extract and the software will install itself in the folder C:\2dmed. It will also create a 2DMED shortcut on the desktop.

Addition of Environmental Variable. Before using the software the C:\2dmed path needed to be add to the system environmental variable Path. To do so, use mouse right button click on the Computer link in the Start menu and select Properties. Then click on Advanced System settings. It would probably require administrative privileges; hence enter your administrator login and password.

In the opened System properties window select Environment Variables button. In the opened Environment Variables window under System variables find variable Path and Press edit.

Add at the end of variable value the path to 2DMED executable file. It should be “C:\2dmed\;”

Click Ok on all previous windows which were previously opened.
Now software should be able to run without problems.

Using Python-based Sourcecode File

If you have python 2.7.X installed on your computer, you can run 2DFLT from the sourcecode file. You can download sourcecode file 2dmed_2.0.py from the following link:

https://sourceforge.net/projects/twodmed/files/Sourcecode/

The best Python package to use which includes all libraries which allows to run 2DMED is Python XY. And it can be downloaded for free from the link below:

https://code.google.com/p/pythonxy/wiki/Downloads

Create a folder named “2dmed” in the root of your disc drive (e.g. “C:\2dflt\”)
Place the sourcecode 2dmed_2.0.py file in the folder you created. After that in the same folder make a 2dmed.bat file via text editor with following commands:

~~~~~~~~~~~~~~~~~~~~~~~~~~~~
:::bat
@set myloc=%~dp0*
@set myloc=%myloc:\*=*%
@set myloc=%myloc:*=\%
@
python %myloc%2dmed_2.0.py %1
@REM To keep the window from disappearing with any error messages
pause
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

Then add path “C:\2dmed\” as system environmental variable Path as shown in the previous paragraph.
Now the program should run fine from any folder.