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Von:Tobias Kind (
Betrifft:Re: Advice on HPLC software
View: Complete Thread (2 articles) | Original Format
Datum:2002-04-17 04:23:46 PST
"F.M.S." <> wrote in message news:<NB0v8.8433$>...
> Hi there I need some advice on HPLC software. I do not need the names of the
> software. I am looking more for features.

...snip snip

Dear Fred,

depends on your detectors and your tasks.

If you work with MS or DAD (Diode-Array-Detector) or
full scan fluorescence (multi-wavelength detection) where
you can get additional *spectral* information, you
need some more features.

If you work only with a raw peak (retention, height)
like UV or ELSD (Evaporative light scattering detector)
you need some basic features.

I assume basic functions (manual peak integration)
are implemented...
Some points from my developer database:

* software should *easily* integrate other devices.
  Important because if you do a "tricky research" you need
  different devices, no producer has all excellent
  detectors, pumps, autosamplers etc.pp..

* software should have an internal macro language.
  if you work with  standard GLP you do not need it.

* software should have a "peak marker" or "post-it".
  most important function, often forgotten, people
  fight with printouts

* software should have export functions for *all* data.
  - maybe I have another software for interpretation
  - will save data in other formats (netCDF)
  - want a nice *vector* graphic

* software should have tools for batch processing.
  don't like to write 1000 rows manually

* software should have overlay/compare functions.
  not only a graphic version - but if you have a
  spectroscopic information also based on locking
  the same peaks on different chromatograms

* software should export all data to excel :-(.
  after integrating, batching etc. this is a must

* software should use spectroscopic functions.
  if you have UV-DAD, scanning fluo or MS - please look
  at a software which handles only this data.
  Remember all the features and come back to your
  HPLC software.

  Nice 3-D graphics are funny but don't help us.
  But a
  * nice peak purity function or a
  * peak deconvolution for UV/fluo/MS data or a
  * spectra interpretation for UV-VIS data or fluo data (!)
  * library manager for UV, fluorescence data
  * funny enough those device vendors acquired millions of chromatograms
    but never saved the UV-VIS or fluorescence spectra
    for huge solvent corrected libraries... hahaahaa
    poor user souls...

* software should automatic correct drifts from
  multi-detector systems.

* software should have an inbuilt HPLC troubleshooter.
  peak has tailing, peak has fronting, no signal?
  which solvent to use?
  Easy example of a simple decision tree software

* software should have a integrated pKa, pH, logP unit.
  most separation problems with  basic/acidic substances
  are problem of false solvent/pH conditions

* may help you in "automated method method development".
  multiple runs for best peak separation

* list goes on...

With kind regards
Tobias Kind

waters, agilent, shimadzu, beckman, pharmacia,
kontron, hitachi, dionex, gynkotek, knauer, kratos,
linaer, perkin elmer, signal, varian

PS: Normally software producers don't read newsgroups
They are "in business". Therefore I've never seen such
a software. But one should say that the users
accept to suffer from (all) silly software and
in most cases "drain the cup of sorrow to the dregs"
until they (never) wake up...

PPS: counting replies ... tending to sifr(0) :-)

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