Releases for HITRAN procedures for Igor

HITRAN procedures for Igor IGOR.6.30.x-1.2

Release File: HITRANprocs_1_2.zip
Version: IGOR.6.30.x-1.2
Version Date: Sat, 08/17/2013 - 02:00 pm
Version Major: 1
Version Patch Level: 2
OS Compatibility: Mac-Intel Windows
Release Notes: Not a lot of changes on my end, but I had to tweak the parameter data loading routine to be compatible with the recently released HITRAN 2012 data and so decided to release an update. See HITRANhelp for a more complete list of changes.

In related news: HITRAN 2012 is out! New molecules and new isotopomers have been added and in order to use the new line database, you will have to run the initial setup procedure again (HITRAN->Setup->HITRAN Start) in order to regenerate the *.pxp versions of the data contained in molparam.txt and parsum.dat. Note that the new molparam.txt will be required:

http://www.cfa.harvard.edu/HITRAN/HITRAN2012/Global_Data/molparam.txt

whereas the partition data has not been upgraded (or even moved to the 2012 directory). The old version works and is still available at

http://www.cfa.harvard.edu/HITRAN/HITRAN2008/Global_Data/parsum.dat

Obviously, though, this means none of the new molecules / isotopomers have partition function data. They can still be used in simulations but the intensities will be wrong if the temperature is changed from 296K.

HITRAN procedures for Igor IGOR.6.20.x-1.1

Release File: HITRANprocs_1_1.zip
Version: IGOR.6.20.x-1.1
Version Date: Thu, 02/21/2013 - 09:42 pm
Version Major: 1
Version Patch Level: 1
OS Compatibility: Mac-Intel Windows
Release Notes: NOTE: Includes (and requires) updated LineBroadening.ipf (version 1.1) which is also available as a stand-alone download under the Line Broadening project.

Updates for version 1.1:

Simplified Setup Process:
New Function HITRANAutoSetup() created to selectively launch the first time setup (SetUpHITRANPackage()) or package setup with already converted binaries (HT_InitializePackage()). User can select which option from a pull down menu, but the default choice is guessed at by existance or lack thereof of package preference file. Should be a less of a hassle for first time setups as well as repeat usage. If you're a heavy HITRAN user (who isnt?) and use a loading procedure to load your favorite packages, you might want to include this initialization function. I.E....I have the following line in a file in my Igor Procedures folder so the setup runs everytime I load the HITRAN procedure file:

Menu "Other Packages"
  "HITRAN Procs", Execute/P "INSERTINCLUDE \"HITRAN\"";Execute/P "COMPILEPROCEDURES ";Execute/P "HITRAN#HITRANAutoSetup() "
End


Changed Calculation Advisor to a panel & added line width histograms and atmosphere population check.

Changed Fast Calculation Fill Algorithm to use built-in weighted histogram operation (a longer explanation is in the comments)

Molecule Color Code panel is now a control panel allowing the user to select new colors for each molecule (No option to save preferences for the next experiment at this point, but color choice will be retained within an experiment and will update line plots that were generated from the Menu and linked to the color table)

Suppress Line Broadening menus (what can I say, I just noticed the menus=0 option for #includes :-))
If you want the Line Broadening menus back (perhaps to convolve a HITRAN simulation with an instrument function)
you can modify the #include line in this file and remove the menus=0 option (will get overwritten if you update HITRAN.ipf) or
#include "LineBroadening" in the local procedure file for each experiment that needs it (the proper way to do it).

Added Doppler broadening only as an option to the accurate calculations.

HITRAN procedures for Igor IGOR.6.20.x-1.0

Release File: HITRANprocs_1_0.zip
Version: IGOR.6.20.x-1.0
Version Date: Thu, 11/29/2012 - 01:07 pm
Version Major: 1
Version Patch Level: 0
OS Compatibility: Mac-Intel Windows
Release Notes: First open package release.

I've been using the core file loading and calculation routines for years, but finally decided to try to add a half-way decent GUI to the package and share it with the Igor community. There are definitely still improvements to be made in terms of speed optimizations (replacing more simple wave assignment statements with multithread and/or MatrixOp equivalents) and GUI useability, but it should be good enough for a test drive. I would appreciate feedback.

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