MBOB for Varian

Download package:

mbob.tar.Z

Content of MBOB package

Pulse Program: gmbob.c
VNMR Macros: MBOB Macro for parameter setup
mbob_proc Processing routine for automatic editing, sorting, processing and dataset combination in absolute-value mode
mbob_ob Macro to read processed one-bond correlation data
mbob_mb Macro to read processed multiple-bond correlation data
bbhmbc_proc Processing routine for automatic processing and dataset combination in absolute-value mode
C-Routines: edit_2d.c Routine for editing raw dataset
ed_sort.c Routine for sorting edited subspectra
av_add.c Routine for adding processed data in absolute-value mode
Shell Scripts: mbob Shell script used by mbob_proc macro for editing and sorting of raw data
mbob_install Script for installation and compilation of MBOB package components
bb_hmbc Shell script used by bbhmbc_proc macro for editing and sorting of raw data
Parameter files: MBOB.par/procpar MBOB parameter
MBOB.par/text pp identifier

Programs tested on:

Varian Unity Inova, Vnmr 6.1B, Pbox 6.1C, Solaris 7

Installation:

For installation the compressed archive mbob.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: mbob_v1.tar.Z, mbob_install, MBOB_README

  1. Login at the user account in which the installation should be carried out
  2. Save the mbob.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 mbob.tar.Z and tar -xvf mbob.tar
  4. Run the mbob_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:

    To set up an experiment the MBOB macro can be used.
    1. Run a 1D spectrum and adjust sw, pw, np,
    2. Call the MBOB macro to generate a MBOB dataset.
    3. Adjust 2D parameters if necessary. Default values are
      • sw1 = 205 ppm -> -5 ppm
      • delays for long-range evolution (Four Values: 440.7, 343.4, 290.3, 242.2 ms)
      • ni = 256
      • nt = 4.
    4. Adjust the receiver gain and start the experiment (go)
    5. For processing run the mbob_proc macro and answer all questions (make sure all mbob components are installed the right way). This will perform the complete dataset editing, sorting, processing, and combination automatically. The edited one-bond correlation and multiple-bond correlation spectra will be plotted.
    6. Using the mbob_ob (one-bond correlation) and mbob_mb (multiple-bond correlation) commands the two subspectra can be accessed within the present experiment number.
 
Document: MBOB for Varian (index.shtml)
Last modified: 2005-12-19