CCCCCCCCCCCC
CCCCCCCCCCCC
CCCC
CCCC   ooooooo
CCCC   oo   oo  nnn
CCCC   oo   oo  n n t r i b u t e d  Library for the Agilent ChemStation
CCCC   oo   oo  n n
CCCC   ooooooo
CCCC
CCCCCCCCCCCC
CCCCCCCCCCCC



Agilent ChemStation Revision A.07.01 or higher
Date 25-Oct-99
LC/MS Macro Contribution #7
Contribution 'LCMS Report Annotation'



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

  1. A.01    Original Version for ChemStation A.07  25-Oct-99

Contribution Purpose
--------------------
	
This macro will create an extra page in the LCMS deconvolution report
containing an MSD chromatogram with peak retention times augmented by
deconvolution mass information from the corresponding mass spectra. 

Note: This macro does not work on SIM data, only scan data.

The macro adds a menu item (UCL, LCMS Report Annotation...) to 
the program's Data Analysis menu.  



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

  One macro file:
	ANNLCMSR.MAC

  One help file:
	ANNLCMSR.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.07.01 or higher



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

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



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

Exit ChemStation and remove any reference to ANNLCMSR.MAC from the 
USER.MAC file.



Use
---

Load and start the macro with:

   macro ANNLCMSR.MAC, go

The macro will add a menu item (UCL, LCMS Report Annotation...) to the
menu of the 'Data Analysis' view.

Use this menu item to enable the annotation macro. 
If mass annotation is enabled, it is automatically performed after
data integration or on exiting the mass annotation dialog.
  
Macro Operation
The macro will be automatically called by ChemStation routines 
during execution of the LCMS Deconvolution report.  If the macro is
enabled an additional page, described  in detail below, will be 
generated during the report.  If the macro is not enabled, no 
additional report page will be generated. 

Extra Report Page
The extra report page will have an MS chromatogram drawn with mass 
spectra information appended to the normal peak retention time 
annotation according to the following description:

If deconvolution of a spectra was successful, the mass of the most 
abundant deconvoluted component will be appended to the retention 
time of the corresponding chromatogram peak, followed by an ‘M’. 

If deconvolution of a spectra was not successful, the mass of the 
most abundant ion will be appended to the retention time of the 
corresponding chromatogram peak, followed by an ‘I’, but only if 
that peak height is above the absolute noise cutoff setting and 
relative abundance % value. 

An ‘*’ will be appended to the annotation of chromatogram peaks 
which have multiple spectral peaks, either deconvolution and/or 
ionic. Ionic peaks must meet the peak height criteria to be 
counted for this annotation.

NOTE: This macro does not work with SIM data, only scan data.



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

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



!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Loads ANNLCMSR.MAC - LCMS Report Annotation       !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

MACRO "ANNLCMSR.MAC"

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