LineShapeKin

NMR Lineshape Analysis for Determination of Association Kinetics

Version 3.1, 3.2

Release 3/30/08, 06/06/09

Contents of the package and getting started

• LineShapeKin has been developed to work with Sparky version 3.113. Likely it will work with other versions.

  ---

• Matlab has to be above version 6 and include Optimization and Statistics Toolboxes.

  ---

• See full LineShapeKin User Manual

  ---

• Directories:
• LineShapeKin/code and DPM_code/ - the M-code of the package.

  ---

• LineShapeKin/Docs - documentation and user manual.

  ---

• LineShapeKin/Docs/Setup_Examples/ - examples of fitting, statistical testing and Direct Parameter Mapping sessions.

  ---

• User_Data/ - the user directory. This directory may be anywhere.

  ---

  • User_Data/Matlab_fitting - the working directory for line shape fitting. Copy necessary M-files from corresponding folder in LineShapeKin/Docs/Examples/

    ---

  • User_Data/Sparky/ - user directory where Sparky project resides. This is the place where the extracted line shapes are saved to. It is supplied with the example project D121A_pTppAp_lineshape_analysis.proj. This directory is for illustration purposes only and may be located anywhere.

    ---

  • User_Data/processing_with_EM/ - contains example nmrPipe script nmrproc1.P1.com for example of exponential multiplication (EM) window function usage. This directory is for illustration purposes only.

    ---

    
    
• To use LineShapeKin for new data analysis:
  
  1. Create new directory and copy M-files from LineShapeKin/Docs/Examples/

     ---

  2. Start MATLAB and set current directory to this location.

     ---

  3. Set path to LineShapeKin/code and LineShapeKin/DPM_code.

     ---

  4. You are ready to go. See instructions in the LineShapeKin User Manual.