Predictive chromatograph peak detection

A non-transitory computer-readable storage medium having embodied thereon instructions executable by one or more processors for implementing a method comprising:

• accessing a database that stores data that identifies:
• a first standard retention time of a first reference compound,
• a second standard retention time of a second reference compound, and
• a third standard retention time of a known compound;
• identifying a first peak in a chromatogram that corresponds to a measured retention time of the first reference compound;
• identifying a second peak in the chromatogram that corresponds to a measured retention time of the second reference compound;
• determining a set of retention time differences that include differences between:
• the first standard retention time and the measured retention time of the first reference compound, and
• the second standard retention time and the measured retention time of the second reference compound;
• identifying a measured retention time of an unclassified peak included in the chromatogram;
• identifying a predicted retention time of the known compound based on the determined set of retention time differences;
• identifying that a difference in the predicted retention time of the known compound and the measured retention time of the unclassified peak is within a prediction threshold;
• and
• classifying the unclassified peak as belonging to the known compound based on the identification that the difference in the predicted retention time of the known compound and the measured retention time of the unclassified peak being within the prediction threshold.

An apparatus for improving operation of a chromatograph, the apparatus comprising:

• a memory;
• and
• one or more processors that execute instructions out of the memory to:
• access a database that stores data that identifies:
• a first standard retention time of a first reference compound,
• a second standard retention time of a second reference compound, and
• a third standard retention time of a known compound;
• identify a first peak in a chromatogram that corresponds to a measured retention time of the first reference compound;
• identify a second peak in the chromatogram that corresponds to a measured retention time of the second reference compound;
• determine a set of retention time differences that include differences between:
• the first standard retention time and the measured retention time of the first reference compound, and
• the second standard retention time and the measured retention time of the second reference compound;
• identify a measured retention time of an unclassified peak included in the chromatogram;
• identify a predicted retention time of the known compound based on the determined set of retention time differences;
• identify that a difference in the predicted retention time of the known compound and the measured retention time of the unclassified peak is within a prediction threshold;
• and
• classify the unclassified peak as belonging to the known compound based on the identification that the difference in the predicted retention time of the known compound and the measured retention time of the unclassified peak being within the prediction threshold.