FDM Mixture Libraries

Description

FDM’s new mixture libraries are for rapid mixture analysis using the FTIR library search software found with most FTIRs.

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 labour, 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 also available:
FDM ATR Organics Mixtures
FDM ATR Inorganics Mixtures
FDM ATR Polymers Mixtures
FDM HiRes VPFTIR Mixtures