Peak Purity Software

[adam]

Hello

I won't mention the brand of software that we currently use for doing our peak purity evaluations (using UV-diode array detection). However, it is very cumbersome and there are many things which the user must do, including: setting thresholds, normalizing spectra, background subtraction, etc.

In addition to being time consuming and complicated I also think it is questionable from a compliance standpoint - since having so many settings a clever user could "force" any situation to give a passing result.

My question: can anyone recommend peak purity software that is more simple and where most of the work is done by the system in an automated fashion.

Thanks!!

[DR]

Algorithms vary, but user input is pretty constant across DAD software from most if not all the major vendors.

"Clever" users who force peak purity calculations to go their way will wind up having to redevelop better methods down teh road. Most realize that it is tempting, but counterproductive.

[HPLCCONSULT]

All peak purity software applications MUST be manually tuned and optimized for the specific situation (sample and method). The chromatograms obtained and most importantly the data collection settings USED to obtain the data are critcial. None of the "Peak Purity" applications on the market today can do this 'automatically' without inducing errors (they all have automatic modes, but these are for an ideal that does not exist). You must have excellent chromatography to start with before even thinking about using this feature. Any desired result can indeed be obtained through the software. As such, we only recommend that it be used in a qualitative way, for well documented Methods/Samples only, and by very experienced chromatographer's whom have a great deal of understanding of the HPLC hardware, software (Peak Purity Features/Settings as well as all detector and capture settings) and method/samples.

Having said that... Peak Purity software can be useful. The greatest weakness of the Purity software is that it relies on a human to obtain the data and set up the references, limits and windows for evaluation which in our opinion, most chromatographer's are not experienced enough to do without formal training.

[Uwe Neue]

Considering the complexity of the information that is needed to use this tool, it is not likely to perform well in an automatic mode or in the hands of an inexperrienced chromatographer.

[Rob Burgess]

I'm becoming more accustomed to thinking that peak purity measurements by DAD is pretty much a tick box exercise for method development (i.e. it doesn't add a lot of value becuase as others have said by changing the settings you can make pass or fail).

I much prefer now to rely on peak purity by LC-MS, although i take the point that this isn't perfect either!

[HPLCCONSULT]

Peak Purity via LC-MS alone is no better.

As a scientist, I prefer to use two or three different analytical techniques to determine "purity" of a compound (e.g. NMR, HPLC, MS, IR as appropriate).

"Peak Purity" software for most is nothing more than a marketing gimick to make it look as if an instrument has been developed that can tell you the "purity" of a sample with just the push-of-a-button (like in TV/Movies). I still laugh when I see companies marketing LC-MS systems today with the same line about how you "just inject your sample and look at the data on the screen to tell you what it is". WoW.

It sure would be great if we had use of those amazing analytical instruments they use in the movies !!!