Data Processing

You are strongly encouraged to pre-process your data on site using the id31sum or id31sumall programs installed on the DIFFRACT31 computer.

These programs merge/monitor normalize/bin the data collected by the 9 independent channels into a 3 column (2Theta - Intensity - Esd ) single file with extension *.epf or *.inp. These files are finally the only useful data you have to bring back home.

The login procedure to DIFFRACT31 is explained on site. Once logged in, the useful directories are

Home directory on DIFFRACT31 : /users/opid31

Raw data storage directory : /users/opid31/Raw

User specific directory (see below) : /users/opid31/users/your_exp_number/data

Alternatively, you have an account on NICE or AMBER:

Home directory on NICE/AMBER : /data/proposal/your_exp_number/data

Note that the NICE account directory /data/proposal/YOUR number exp./id31 is directly mounted on diffract31 under path /users/opid31/users/your_exp_number

Users are strongly encouraged to process their data under this latter directory (sub-directories can be created).

DIFFRACT31 can be accessed from the DIFFRACT31 terminal in the control hutch and from the two PC's in the next room (using the Exceed application for X terminal emulation).

Data processing:

From an xterm window on DIFFRACT31:

change directory to your own zone: cd users/YOUR number exp.

Make a new directory for each datfile:    mkdir directory_name

Change to directory:                             cd directory_name

To see current data sets:                     ls -lrt ~/raw/*.dat

To see scans in file:                            grep #S ~/raw/your_exp_number_filename.dat

To add up and normalise data etc.:

Copy the temp.res from /users/your_exp_number directory (CHECK THE ANGLE OFFSETS)

Type id31sum  ~/Raw/your_exp_number_filename.dat bin_size_(e.g. 0.003) [first_scan last_scan] (type "id31sum" with no arguments for help)

To view normalised data:                    plepf *.epf

To check things look OK:                   pld

To view several files:                         plmany file1 file2 file3 .

If you want to process a single files for each scans of a same file, use id31sumall (type "id31sumall" with no arguments for help)