Macro: simplexer Program: SIMPLEXER

Description: 

        Starts the "SIMPLEXER" program, which is used to 
        automatically adjust parameters using a simplex 
        method. Brings up the screen "Select Optimization 
        Variables".  

Associated Software: In ~/vnmrsys/maclib:

   simplexer:  Alias of SIMPLEXER
   SIMPLEXER:
   Simplexer:
   initSimplex.tcl
   killFile
   pokeFOM
   setMacroState
   simplexOptions.tcl
   asSetUp
   genTempCommun
   buildqueue: Alias of buildQueue
   buildQueue:
   initQueue:
   testQueue:

Adjustable Sequences: onepul.c, tancpx.c, dcptan.c 

Functions:

1. Screen: "Select Optimization Variables" 

View:   Selects available parameter group(s) for display. 
Select All: Checks all parameters for adjustment. 
Clear:  Clears all parameters. 

   Check an individual parameter for adjustment. 

Abort:  Closes the screen. 
Continue: Opens the screen "Simplex Initialization"

   Select variables and press "Coninue". 

2. Screen: "Simplex Initialization"

Save:   Saves the selected variables with limits in 
        ~/vnmrsys/Simplexer/methods. 
Load:   Load an existing method file with variables and limits. 
File Name: Name of file to load. 

   Enter the Minimum and Maximum of the selected variables. 

Tolerance: Set an acceptable percentage (0-100%) variation 
        of the Optimization Measure. 
Iterations: Set a maximum number of iterations. 
Seed Options: Set "Single" only. 
Optimization Measure: Selects the appropriate Measure. 
   Shim Sum: uses the shim sum and measures resolution of
        the entire FID. 
   Integral: Measures a designated integral in the spectrum. 
   Peak Height: Measures the tallest peak height in the 
        spectral display. 

Abort:  Ends SIMPLEXER
Start:  Begins simplex adjustment. 

3.  SIMPLEXER reads out intermediate data on the "Information"
    line (line3). When SIMPEXER stops the parameters are optimized
    in the workspace. 

4.  To end SIMPLEXER abort the acquisition and press the 
    "cancel command" button. Select a useful set of parameters
    from the "Information" line. 

Associated Software: 

1.  Variable Optimization File: 

        Establishes the format of the "Select Optimization
        Variables" screen. The format of each line is the 
        parameter name followed by a label in double quotes.  
        Parameter groups are separated by titles (which are 
        not parameters and have no labels). the titles are 
        shown in the View menu. Note that if a variable does 
        not exist the Variables screen will not open and give
        an error message. 

        The Variable Optimization File is located in the 

   ~/vnmrsys/Simplexer directory.  

        If this file does not exist, SIMPLEXER will not open. 

Example: 
       
# tancpx.s - Simplex Optimization File for tancpx.c

Power
tpwr   "X Power: "
dpwr   "H Power: "

cpHX
aHhx    "H CP Level: "
aXhx    "X CP Level: " 
bHX 	"Curvature: "
dHX 	"Width: "
tHX 	"Contact Time: "

Pulses
pwH90   "H 90: "
aH90    "H Amplitude: "

TPPM
aHtppm	"TPPM Amplitude: "
pwHtppm "TPPM Pulse width: "
phHtppm "TPPM Phase: "

SPINAL
aHspinal  "SPINAL Amplitude: "
pwHspinal "SPINAL Pulse width: "
phHspinal "SPINAL Phase: "

2. Method File: 

        The Method File stores a set of parameters to be adjusted, 
        along with their limits, a tolerance and a maximum number of 
        iterations. A Method File is created with the Save button 
        in the Select Optimization Variables screen. Existing methods 
        can be loaded with the Load button. 

        The Method File is located in the; 

   ~/vnmrsys/Simplexer/methods directory.  

        The Method file can be run directly from the command line
        with the syntax: 

   SIMPLEXER('FILE','mymethod')

        where "mymethod" is the correct path and filename of the Method 
        File. "SIMPLEXER" must be uppercase. 

3. Queue File: (and buildQueue)

        The Queue File stores multiple methods. The Queue File is 
        run only from the command line with the syntax: 

   SIMPLEXER('QUEUE','myqueue')

        where "myqueue" is the correct path and filename of the Queue 
        File. "SIMPLEXER" must be uppercase. 

        The Queue File is located in the; 

   ~/vnmrsys/Simplexer/queues directory.  

        A Queue File is created with the buildQueue macro (alias
        buildqueue).  The buildQueue pop-up has two columns.  The 
        left column contains a list of methods in the methods 
        directory.  The right column is a list of methods to be 
        incorporated into the Queue File. Press Save to save the 
        Queue File and provide a filename.  One may select a 
        directory other than 
   
   ~/vnmrsys/Simplexer/methods 
   
        for the input using the Change Dir button and one may 
        select a directory other than 

  ~/vnmrsys/Simplexer/queues
  
        for the Queue File using the Save button.   
 





