User Contributed Software


Agilent realizes that all segments of modern industry, including chemical analysis laboratories, must operate more efficiently. Following a long Agilent tradition of helping advance productivity in gas and liquid chromatography, mass spectrometry, and spectroscopy, we have decided to share with you some practical software tools.

User-contributed software, which is either customer-written or written by Agilent specifically for a customer, is made available for Agilent's general customers solely as a convenience. It is provided only on an "AS IS" basis and on the express condition that it is neither warranted nor supported by Agilent Technologies, Inc. AGILENT DISCLAIMS ALL WARRANTIES, EXPRESS AND IMPLIED, INCLUDING THE IMPLIED WARRANTY OF MERCHANTABILITY.

Each product is stored as a self-extracting file. To download the software, click on the file name and save it to your hard disk in an appropriate directory. You then simply double-click on the file to automatically extract all the files. Once the files have been extracted, run SETUP and follow the directions to install the software on your computer. For the RTL and multitechnique Agilent ChemStation macros, and the PCB congener libraries, please read the extracted readme file or Word document for detailed installation instructions.

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LC/MS API Pesticide Libraries

Includes a presentation that describes Agilent's approach to single quadrupole API-MS libraries, which allows LC/MS users to construct their own libraries for their own compounds. Also includes a pesticide library acquired using this approach. LCMS_API_pest_lib.exe

GC Column Application Software

This tool will allow you to predict elution order and approximate retention time for 67 individual FAMESs at a given isothermal run temperature on HP-88. HP-88 Elution Order Prediction.xls

RTL Macros and Databases

These applications require either the Agilent ChemStation for GC (revision A.05.04 or higher) or Agilent ChemStation for MS (revision B.01.00 or higher) and Agilent's retention time locking software (revision A.05.02 or higher).

To install the RTL autosearch and autolock macros or the PCB congener databases, download and extract the executable file and follow the detailed instructions in the respective Microsoft Word or readme.txt documents, respectively. To use the RT-locked VOC databases and MS library, download and extract the executable file and then do the following:

  • Copy the GC retention-time table (Ambhsvoa1.rtt) into the RTL subdirectory in your HPCHEM directory.
  • Copy the MS table file (amhsmod2.scd) and the MS library folder (Amhs_1.l) to C:\database.

RTL Macros
RTL Autolocker for GC
Automates GC retention time locking calibration and (re)locking of methods
autolock.exe
RTL Autosearcher for GC
Automates RTL library searching for GC
autosearch.exe

RTL Databases
NEW! RTL GC/MS Databases for Organotin Derivatives
Includes methyl, ethyl, and pentyl derivatives
Click here to view a slide presentation (205 kbytes) and download the necessary files.
VOC MS Library and RTL Databases for GC and MS
Includes the GC RT-locked database, the MS screener database, and full-spectra library of 65 volatile organic compounds
VOCs.exe
PCB Congener GC/MSD RTL Databases
Includes two RT-locked screener databases and MS library for 209 PCB congeners.
Click here to view a slide presentation (250 kbytes) and download the necessary files.
Forensic Toxicology GC/MSD RTL Databases
Includes an RT-locked screener database and MS library for 277 drugs and other substances of interest to toxicologists and forensic scientists.
Click here to view a slide presentation (212 kbytes) and download the necessary files.
Fatty Acid Methyl Ester GC and GC/MSD RTL Databases
Includes RT-locked GC retention time databases and GC/MSD spectral libraries and screener databases for 37 common FAMEs separated on DB-Wax and DB-23 columns.
Click here to view a slide presentation (380 kbytes) and download the necessary files.
Flavors RTL Databases for GC/FID and GC/MS
Includes RT-locked GC/FID and GC/MS retention time databases and mass spectral library containing 409 compounds.
Click here to view a slide presentation (626 kbytes) and download the necessary files.

GC Pressure/Flow Calculator Software

The flow calculator and method translation software tools can help users of all gas chromatographs and columns, but are especially useful with an Agilent 6890 and Agilent 6850 GC system with electronic pneumatics control and with high-quality Agilent capillary columns.

The flow calculator program contains TWO subprograms: a pressure/flow calculator and a vapor- volume calculator.

The pressure/flow calculator can be used to determine pressure settings and flow rates through a capillary GC column. Column dimensions, temperature, inlet and outlet pressure, and carrier gas type can be varied in the calculation of outlet flow rate, average linear velocity, and holdup time.

The vapor-volume calculator is used to calculate the vapor volume for a liquid solvent vaporized in a heated GC inlet. This is useful in determining appropriate injection volumes for a given solvent in a given inlet liner. The most important application is splitless injection, where discrimination and liner overload is most probable.

This revision of the flow calculator program operates on Windows 95 and Windows NT platforms. It includes an inlet flowrate calculation (to help when calculating splitless delay times) and a liner overload stop light to signal possible overload conditions. Check out the excellent descriptions in the Help section as well. This is a great teaching tool for capillary GC principles.

Revision 2.05
Requirements Windows 95 or Windows NT
File Size 528 KB
File Name flow205.exe

GC Capillary Column Method Translation Software

Leverage the efforts you have already spent optimizing your current method and painlessly and predictably migrate to faster separations.

This program allows you to port a current GC method to another while ensuring that relative retention order is maintained, that is, peaks elute in the same order. If you are thinking of speeding up an analysis or are simply changing detectors (for example, from an FID to an MSD), use the method translator to yield a perfectly scaled version of the original. Rapidly predict required head pressures, oven temperature program rates, and relative run times.

You should use method translation software whenever you change carrier gas type, column dimensions, phase ratio (film thickness), column outlet pressure, or carrier gas flow rate. The main assumptions are that you are not changing stationary phase chemistry and that the elution order on your current method is satisfactory.

Version 2.0.a.c fixes one major defect found in previous versions. The defect could cause incorrect calculations when using corrupted ".mxd" files. This version tests saved ".mxd" files as they are being opened to determine if they are corrupt. You then have the option to fix them or proceed without correcting the error. It is NOT recommended to use corrupt files unless you record the "old" calculations for comparison to those you will get once the file has been corrected.

Corrupted files can be identified manually after they are loaded (either with a previous version of the software or by selecting "No" with version 2.0.a.c when asked if you want to fix your files) by changing "Oven Temperature Ramp" to "Isothermal." Any new temperature entered into the "original" oven temperature field should be reflected automatically in the "translated" oven temperature field. With corrupted files, this does not happen; the "translated" temperature does not change, resulting in a potential error in subsequent calculations.

Known bugs in version 2.0.a.c

  • Method translation Help not found when the "?" icon is pushed. This is manifested by an MS Windows Help screen launching instead of method translation help. This happens if you open ".mxd" files from a directory other than the directory where the program resides. No harm is done to your data or results; you simply cannot get to the method translation help unless you change the default directory back to the program directory (e.g., C:\mxlator).
  • Version number is incorrect on popup screen when software is started. 2.0.a is displayed instead of 2.0.a.c. See note above. This is a cosmetic defect that will not affect software operation

NOTE: The method translation setup program does not always overwrite previous versions of method translation software that may be installed on your computer. To guarantee proper installation of version 2.0.a.c, delete all files in the target directory (except any .mxd files you may want to keep) or create a new directory.

NOTE: We did not have a chance to change the graphics screen that appears when the new version of method translation software is run. The new software still displays "Version 2.0.A" on this startup screen. To verify that you are running version 2.0.a.c, do one of the following:

  • Look in the directory that contains the method translation software (for example,
    C:\mxlator). The executable file (mxlator.exe) for version 2.0.a.c has a build ("modified") date and time that shows when it was installed.
  • When using the method translation software, press [Print] and look in the top right corner of the printout. In version 2.0.a.c, the date and time are in bold font. In previous versions, they were in normal font.

Revision 2.0.a.c
Requirements Windows 3.1 or higher
Save to PC To download to your hard drive, save the following file to an appropriate directory (see installation instructions above before proceeding):
File Size 2.86 Mbyte
File Name mt2acset.exe
Save to disks To download to 1.4MB floppy disks, save each of the following files to an appropriate directory on your hard drive (see the installation instructions above before proceeding). Then double click on each executable file and save the extracted files on separate formatted floppy disks, one for each file.
File Size Disk 1 1.16 Mbyte
File Name Disk 1 mt2ac_d1.exe
File Size Disk 2 727 kbyte
File Name Disk 2 mt2ac_d2.exe
File Size Disk 3 1.01 Mbyte
File Name Disk 3 mt2ac_d3.exe

Agilent ChemStation Macros

Multitechnique ChemStation

Excel Summary lets you add a ChemStation menu item that enables the creation of a post-sequence compound report in Microsoft Excel compatible format (CSV). The compound summary report lists the compounds found in each run of the sequence. There are five different types of compound summary report: amount, area, retention time, height, and custom. excelsum.exe
Macro Debugger helps you debug ChemStation macros. macdebug.exe
LIMS Sequence Download is a series of macros and other executables that help you download information from a server or LIMS computer to the ChemStation PC. A file is first copied from the server to the ChemStation PC. The file is then converted to a sequence file. You perform this two-step process using pull-down menus added to the Sequence menus of the Top view. seqmacro.exe
ChemStation Scheduler Commands provides a file that gives information about the commands to use when programming the ChemStation GC scheduler to start the GC, load a method or sequence, and start a run. schedgc.exe
ChemStation Macro Editor provides a tool to aid in the development of macros for the ChemStation. macropad.exe
Automatic e-Mail Program allows you to automatically e-mail HTML and GIF files created by the ChemStation (revision A.06.01 and higher) at the end of a run to a designated e-mail address. email.exe
GC/Olfactometry Program allows the simple analysis of gas chromatography/olfactometry results according to the three most common methods (CHARM, AEDA, SNIF) developed for the acquisition, processing, and interpretation of olfactory data. sniff.exe

Software actuated shutoff of CI Reagent Gas - Application Note 5968-7844E

As described in the application note (5968-7844E), this software enhancement enables a command to be issued that allows the user to turn the chemical ionization reagent gas off at the end of a sequence or method. This is very useful for unattended operation of the 5973A MSD.

The command "cigasoff" is added to the "Run Post-Sequence (or post-method) Macro" line in a sequence or method.

Requirements Windows NT 4.0, G1701BA B.01.00 with Point Patch Version 22
File Size 3 KB
File Name ENHTOP.INI

File required: ENHTOP.INI

In the HPCHEM\MSMACROS folder, rename the existing ENHTOP.INI file and copy the new ENHTOP.INI file to the same folder. Chemstation must be restarted

NOTE:This Enhancement requires G1701BA B.01.00 with Point Patch Version 22 or greater installed. If you do not have Point Patch 22 visit

www.chem.agilent.com/scripts/cag_checkreg.asp

A software registration number is required.

Agilent ICP-MS ChemStation

These macros are very powerful tools to enhance and customize the ICP-MS ChemStation software for the specific use outlined in the table below. If you have an ICP-MS macro that you would like to share with others, you can e-mail the files to steven_wilbur@agilent.com. Please include a readme.txt file that contains installation instructions and a brief description of what the macro does.

Macro for Data Batch Reporting
allows the user to combine ICP-MS ChemStation text reports into a single reports subdirectory within the data batch, renaming each report to the datafile name + ".txt". This facilitates the review and transfer of ChemStation reports to a LIMS server.
for ICP-MS ChemStation Version B.xx.xx
batchrep.exe
Utility for Transfering Reports to Network
allows the user to review, approve and transfer ChemStation text report files from the ChemStation to another directory location either on the current drive or a shared network drive.
for ICP-MS Chemstation version: B.xx.xx
transrep.exe
Utility for Reviewing Data (Windows 95)
is designed to review data from many files at the same time. The data is displayed on a spreadsheet like grid. It is installed by running a:\setup from the Windows 95 command line prompt.
for ICP-MS Chemstation version: B.xx.xx
filevw95.exe
Utility for Reviewing Data (Windows NT)
is designed to review data from many files at the same time. The data is displayed on a spreadsheet like grid. It is installed by running a:\setup from the Windows NT command line prompt.
for ICP-MS Chemstation version: C.xx.xx
filevwnt.exe
Macro for Storing Calibration
is used in sequencing. It is executed immediately after a method is calibrated. The calibrated method will be stored in the subdirectory of the data.
for ICP-MS Chemstation version: A.xx.xx or B.xx.xx
storecal.exe

See Also: