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Categories:
Acquisition

Processing

MacFID only

Misc.


AppleScript References


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AppleScript NMRscript Library


Notes...
  • The NMRscript Library contains processing and acquisition NMRscripts for use with MacNMR and/or MacFID.
  • Click on the name of the script to download. Open the script in your script editor and click "check syntax." Once the script has compiled, save as "compiled script" into the scripts folder inside the MacNMR folder and run from the script menu.

Acquisition Scripts

  1. Simple 1D Experiment - Collects a 1D data set. Good starting point for learning to write NMRscripts.
  2. 2D Experiment - Collects a 2D experiment. Also good starting point for more advanced scripts.
  3. T1 Block Average - Collect an interleaved T1 data set.
  4. Auto Shim - Basic auto shim example for GN/QE/NT/AM/AC/GX spectrometers
  5. Manual Shim - Manual shim example
  6. Auto Receiver Gain - Creep up to optimum receiver gain. For GN/QE/GX/Bruker hardware types.
  7. 3D Experiment - Collect a 3D experiment based on a 1D
  8. Go FT - Go, FT, Go, FT, Go...
  9. Zero Go Move - Collect a block and save to a temporary file, collect a block and save to a temp...
  10. Kinetics Experiment - Perform a kinetics experiment. Uses the wait command to wait in between experiments. Modify the list of wait times in the script for your application.
  11. Multi Experiment - A fairly complicated script to perform multiple experiments on the same sample. This script was originally written for a QE (no sample changer), but could be modified for any hardware type.
  12. Auto Shim - FID - Shim on all terms available on GN shim set. Shims are grouped into related sets, and the sets are shimmed sequentially. Handles both spinning and non-spinning samples appropriately.
  13. Set DE - Set the value of the pre-acquisition delay (in 1 Pulse for example) after changing spectral width, to avoid 1st-order phase corrections (Hoult, Chen, Eden and Eden, J. Magn. Reson., 51, 110 (1983)).
  14. 2D Experiment with Prompt - A variation on the basic 2D Experiment script that prompts the user for a starting file.
  15. Interleaved 2D Experiment - Performs the user selected 2D experiment with interleaving of the data.
  16. 2D Continue - This script allows the user to acquire and append additional 2D blocks to a previously collected data set.
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Processing Scripts
  1. Load Integrals
    Load a set of integrals
  2. Process T1
    Process a T1 data set, includes call to T1/T2 calculation routine. Easily modified using Set Cursor command.
  3. Sum All Files in Folder
    Sum all files in a folder. Easily modified to sum all files in a 2D set.
  4. Separate Echoes
    Separate Echoes (FIDs) from records that contain multiple echoes (FIDs).
  5. Auto Phase & Auto Integrate
    Performs an auto phase (analytical or iterative) and integrates the selected region
  6. Basic 1D Processing
    Example of using a script to create processing commands.
  7. Peak Pick
    Does an automatic peak pick on the current data.
  8. Extract Columns for Phasing
    Extract two columns from a 2D set and add them into a new file. Useful for processing phase sensitive data.
  9. Real FT Post Process
    Use this script to set the carrier at the left, throw away the unwanted half of the data, and reset the SW.
  10. Real FT Post Process -2D
    Script to get rid of the unwanted portion of a 2D set after a real FT. Useful when processing TPPI data.
  11. Auto phase 1D/2D
    Performs a baseline tilt and an auto phase on a 1D data set or on each record of a 2D data set. Also serves as an example of how to have a script check to see if the file is a 1D or 2D data set.
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MacFID Specific Scripts
  1. 1D D-Series Pre-Process
    Bruker D series pre-processing script for 1D. Needed for processing "digital" data. MacFID 5.3 06/05/96 or later required.
  2. 2D D-Series Pre-Process
    Bruker D series pre-processing script for 2D. Needed for processing "digital" data. MacFID 5.3 06/05/96 or later required.
  3. Digital Data READ ME
    READ ME file explaining the digital preprocessing scripts
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Misc Scripts & Helpful Examples
  1. Find Path
    Shows how AppleScript can be used to find the path to folders in the MacNMR folder.
  2. Add Records
    Add selected records in a 2D file
  3. Auto Phase & Auto Integrate
    Performs an auto phase (analytical or iterative) and integrates the selected region
  4. Convert Last Delay to Seconds
    Example showing how to get a value from a dashboard item such as "Last Delay" and extract the number from the value. i.e. "1" from "1s."
  5. Extract Column
    Extracts a column from a 2D data set. Can be easily changed to extract a row. Requires MacNMR 5.4
  6. Get File Size
    Prompts the user to select a file and reports its size.
  7. Set Zoom Region
    Sets the zoom region specified in the script. This can be copied and several zoom regions saved. So a script called "Fingerprint Region" could be accessed while in 2D display mode. A slight modification makes this useful from the 1D display. 2D zoom requires MacNMR 5.4.
  8. Launch Script Editor
    Put this script in your script folder to launch the Script Editor from MacNMR. HINT: put an [option]-8 character in front of the name to force it to the bottom of the list.
  9. Line Fit Info
    Displays line fit info for a lorentzian fit.
  10. Variable PW Experiment
    Shows how to pass variables from a script to the pulse sequence. This script uses a list of PWs could be easily modified.
  11. Reverse Order
    Reverses the order of records in a 2D set.
  12. Add Records in File
    Like the old Nicolet "Block Average". Submitted by Carl Gregory, UIUC
  13. Combine Multiple Files
    Same as "Add Records in File, except uses all files in a folder which match the first file with respect to block size. Submitted by Carl Gregory, UIUC
  14. List files with comments
    Searches a selected folder for all MacNMR data files, and prints out the comment field for each file for your lab notebook. Requires the Scriptable Text Editor from Apple (comes with the AppleScript Handbook). Submitted by Carl Gregory, UIUC
  15. Shim Utility
    Print and/or Save the current shim set without going through the shim dialog. Submitted by Carl Gregory, UIUC
  16. Set Type & Creator to MacNMR
    An AppleScript 'Droplet' that converts the type and creator of any file dropped onto it to MacNMR.
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NMRScript (i.e. AppleScript) Resources
= a link that leaves the Tecmag web site.
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