Sentence examples for library entry from inspiring English sources

A method for analyzing spectrometry data to identify and Quantify Individual Components in a Sample, (QUICS), enables generation of chemical library entries from known standards and, importantly, from unknown metabolites present in experimental samples but without a corresponding library entry.

If the group of ions is determined to represent an unknown chemical with no reference library entry, a new spectral entry is added to the library so that the unknown entity can be tracked in future studies.

It should be noted that this method represents an automated package that also enables the generation of spectral library entries for unnamed/unknown metabolites--those molecules where a reference library entry of chemical spectral signatures does not yet exist.

In summary, integrated primary ion chromatographic peaks from all the samples are binned based on chromatographic features of retention index and ion mass, well correlated bins within the retention index window are grouped to create a library entry to represent a chemical entity.

The QUICS methodology enabled rapid, in-depth evaluation of all possible metabolites (known and unknown) within a set of samples to identify the metabolites and, for those that did not have an entry in the reference library, to create a library entry to identify that metabolite in future studies.

Thereby, for each library entry a reference peak list (main spectrum) which contains information about averaged masses, averaged intensities, and relative abundances in the 20 measurements for all characteristic peaks of a given strain was created, so a main spectrum displayed the most reproducible peaks typical for a certain bacterial strain.

Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities.

Furthermore, new library entries can be created when grouped ions represent a new, undocumented metabolite (unknown).

This method accounts for all ions in a sample spectrum, performs library matches, and allows review of the data to quality check library entries.

The QUICS method greatly accelerates the organization of ions into chemically related sets and expedites the creation of chemical library entries and the identification of metabolites.

Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities with more than 3300 commercially available purified standard compounds.