Advice on HPLC software
F.M.S.
software. I am looking more for features.
What features should a good HPLC software have?
Some that I can think of include:
1. The ability to move integration events along a chromatogram rather than
deleting and repositioning.
2. A software that has an intrinsic function to subtract placebo and solvent
peaks.
3. Protection from accidentally overwriting raw data files that have been
acquired.
What are other features to look for in a good HPLC software?
Thank you.
Tobias Kind
> 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
keywords:
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) :-)
