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Agilent Chemstation Revision A.08.02 or higher
Date 24-May-00
LCMS Macro Contribution #8
Contribution 'SIM Ion Transfer Macro'



Revision History
----------------

  1. A.01  Original Version for ChemStation A.08.02 24-May-00

 

Contribution Purpose
--------------------

This macro will copy SIM ion masses specified in the "Setup MSD Signals"
dialog to either the "Extract Ions" dialog or the "Signal Details" 
dialog.  The macro will also copy EIC masses from the "Extract Ion" 
dialog to the "Signal Details" dialog.  

This macro will work for either the G1946A, G1946B, G1946C or G1946D detector.

The macro adds a menu item (UCL, Copy SIM Ions) to the program's Data 
Analysis menu.  

UCL
	Copy SIM Ions >
		MSD Signals to Signal Details 
		MSD Signals to Extract Ions 
		Extract Ions to Signal Details




Contribution Structure
----------------------

  One macro file:
	SIMIONS.MAC

  One help file:
	SIMIONS.HLP

  This file:
	README.TXT



Prerequisites
-------------

  - MS Windows NT 4.0 as required by the revision of the 
	  ChemStation in use
  - The ChemStation software, Rev A.08.02 or higher



Installation
------------

- Copy macro files SIMIONS.MAC and SIMIONS.HLP to the 
	ChemStation's executable directory, 'C:\chem32\CORE'
	by default.     



Uninstalling The Macro
------------------------------------------------------------

Exit Chemstation and remove any reference to SIMIONS.MAC from 
the USER.MAC file.



Use 
---

Load and start the macro with:

   macro SIMIONS.MAC, go

The macro will add a menu item 

UCL
	Copy SIM Ions >
		MSD Signals to Signal Details 
		MSD Signals to Extract Ions 
		Extract Ions to Signal Details

to the menu of the 'Data Analysis' view.




Operation Overview 
------------------

If no ions are specified in the source tables, an 
error message will be displayed and the macro will 
terminate.  

Duplicate ion masses for each signal/polarity combo
will be eliminated.


MSD Signals to Signal Details

The macro will read the SIM ion masses specified in the 
"MSD Signals" dialog for all signal/polarity combinations. 
If there is only one SIM ion mass, it will be copied to the
"Signal Details" dialog table. 

If there are multiple SIM ion masses, the "Edit SIM Ion 
Masses" dialog will be displayed allowing changes or deletions 
of masses from the list.  On an OK exit from this dialog, the 
edited masses will be copied into the "Signal Details" dialog 
table. 

The "Signal Details" dialog will be displayed and the macro 
will terminate.

Conversion Examples:
MSD Signal Settings        to         Signal Description
--------------------------------------------------------
Signal 1  Positive  195   to   MSD1 195,EIC=194.7,195.7 
--------------------------------------------------------


MSD Signals to Extract Ions

The macro will read the SIM ions specified in the "MSD Signals"
dialog for all signal/polarity combinations. If there is only one
SIM ion mass, it will be copied to the "Extracted Ion Table". 

If there are multiple SIM ion masses, the "Edit SIM Ion Masses"
dialog will be displayed allowing the user to edit or delete 
masses from the list.  On an OK exit from this dialog, the 
edited masses will be copied into the "Extracted Ion Table".

The "Extract Ions" dialog will be displayed and the macro will
terminate.

Note: The "Extracted Ions" dialog will appear only if a data
file has been loaded.

Conversion Examples:
MSD Signal Settings     to     Extracted Ion Table
---------------------------------------------------
Signal 1  Positive  195   to   MSD1,Pos 195     195
---------------------------------------------------

Extract Ions to Signal Details

The macro will read the "Extracted Ion Table" for all signals.
If there is only one ion mass, it will be copied to the
"Signal Details" dialog table. 

If there are multiple ion masses, the "Edit SIM Ion 
Masses" dialog will be displayed allowing changes or deletions 
of masses from the list.  On an OK exit from this dialog, the 
edited masses will be copied into the "Signal Details" dialog 
table. 
  
Extracted Ion masses will be copied into the Signal Details table.

Conversion Examples:
Extracted Ion Table      to     Signal Description
--------------------------------------------------------
MSD1,Pos        222             222      to     MSD1 222,EIC=221.7,222.7
MSD1,Neg        222     333     277      to     MSD1 277, EIC=222:333
--------------------------------------------------------



System File Modification For Automatic Macro Loading:
------------------------------------------------------------

Append (cut/paste) the following lines to the end of the 
		USER.MAC file.



!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Loads SIMIONS.MAC - SIM Ion Transfer Macro        !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

MACRO "SIMIONS.MAC"

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!