FDM
Mixture Libraries
FDM's new mixture libraries are for rapid mixture analysis using the FTIR library search software found with most FTIRs.
This is our new flyer.
An FAQ was compiled in anticipation of many questions.
Using the FTIR search software you already know and understand you will be able to
rapidly obtain suggestions of relative concentrations
in mixtures
provided the neat spectra are in
the regular FTIR libraries we offer. This is done without the labor,
time and expense of
developing quantitative analysis data sets for use with quantitative
analysis algorithms such as CLS (Classical Least Squares), PLS (Partial
Least Squares), MLR (Multiple Linear Regression), PCR (Principle
Component Regression), or
starting with chromatographic analysis.
Here is an example from a mixture library search using the ordinary correlation coefficient search algorithm. From the FDM ATR Organics Mixtures
FTIR library we picked a 50:50 mixture of Triphenylphosphine and
L-Lactic Acid Diethyl Ester and searched it against the library.
It is not surprising that the first hit is perfect since the unknown is
a library spectrum. But the following hits show the
power of this tool for mixture analysis. The 2nd hit is 40:60,
the 3rd is 60:40, the 4th is 30:70 and the 5th is 20:80. These hits
make suggestions as to the relative concentration of the components in
the mixture. In this example, it is natural that we get a perfect first
hit and a cluster of similar hits at the top of the hitlist. In practice, hit lists
with high scores and similar clusters are suggestions of relative
concentration to inform your next steps in your mixture analysis
procedures.
The spectra in the FDM Mixture Libraries are calculated from neat
archival spectra with proprietary software developed at FDM. The spectra in the FDM ATR Organics are used to generate the FDM ATR Organics Mixtures.
Here
is a portion of the chemical name index from the FDM ATR Organics Mixtures.
You can see this
particular library is built with two components per spectrum and at 10%
concentration intervals. Note there are no neat spectra in this index.
This should be used along side the FDM FTIR libraries the mixture
spectra originate from, i.e. the FDM ATR Organics.
These FDM Mixture Libraries are planned for release in 2010:
FDM ATR Organics Mixtures
FDM ATR Inorganics Mixtures
FDM ATR Polymers Mixtures
FDM HiRes VPFTIR Mixtures
We fully expect customers to require custom mixture libraries. Please contact us with your requirements.
We'll be adding more to this page in the near future. Please check back soon.
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