S³CT

Software for Varian

Download package:

Package content:

• Pulse Program:
  • s3ct_1jhet.c
• C-Routine:
  • s3ct_ea_sort.c (Routine for editing and sorting of raw data set)
• Shell Scripts:
  • s3ct_combine (shell script for data set combination)
  • s3ct_install (script for installation and compilation of S³CT_1J package components)
• Parameter files:
  • s3ct_1jhet.par/procpar (s3ct_1jhet parameter)
  • s3ct_1jhet.par/text (pp identifier)

Installation:

For installation the compressed archive s3ct_1j_vpack.tar.Z containing the source codes of all components is required. The installation can either be executed for individual users or globally for all users within the vnmr1 account.

Content of installation package: s3ct_v1.pack, s3ct_install, S3CT_README

1. Login at the user account in which the installation should be carried out
2. Save the s3ct_1j_vpack.tar.Z file at a location with write permission for the user who is carrying out the installation
3. Unpack the file with the commands: uncompress s3ct_1j_vpack.tar.Z and tar -xvf s3ct_1j_vpack.tar
4. Run the s3ct_install script, answer all questions. Installation for vnmr1 can be executed either as local installation for vnmr1 only or as global installation for all users.
5. Installation is completed successfully when the installation script runs without any error. The installation files can be removed after successful installation.

Performing experiments:

The parameter select can either be 'a','b' or 'a','b','c','d', respectively. If nt> 8 the full cycle with select = 'a','b','c','d' is recommended.

To generate a selective water pulse shape, use the water_sc.inp in your shapelib directory, adjust ref_pwr and ref_pw90 according to your proton pulse calibration and type the command: Pbox -f water_sc.inp

An output like below appears: >>> Set pulse width to 1.0000 ms <<< >>> Set pulse power to 21 dB <<<

Remember to change the parameters pwater (pulse width in us) and pwaterlvl (pulse power).

Processing of S³CT 1J Data:

Combination of data set recorded with array = 'phase,select'

1. change into the directory where the data set is located
2. run the data set combination routine
   s3ct_combine "original name" "new name" "ni" "np" "array dimension"
3. array dimension is the dimension of the select variable, it can be either 2 ('a','b') or 4 ('a','b','c','d')
4. example input:
   s3ct_combine protein_1 protein_1_ea 512 2048 4

Program tested on: