Methods and systems for performing chromatographic alignment

A system comprising:

• at least one memory storing instructions;
• and
• at least one processor communicatively coupled to the at least one memory and configured to execute the instructions to:
• access a target file including data representative of a plurality of chromatographic features detected from a first sample and a reference file including data representative of a plurality of chromatographic features detected from a second sample,
• identify, based on the target file and the reference file, a distinct retention time offset value for each chromatographic feature included in a first subset of the plurality of chromatographic features detected from the first sample,
• determine, based on the identified distinct retention time offset values for the chromatographic features included in the first subset and based on a machine learning model, a distinct predicted retention time offset value for each chromatographic feature included in a second subset of the plurality of chromatographic features detected from the first sample, and
• assign the distinct predicted retention time offset value for each chromatographic feature included in the second subset.

A non-transitory computer-readable medium storing instructions that, when executed, direct at least one processor of a computing device to:

• access a target file including data representative of a plurality of chromatographic features detected from a first sample and a reference file including data representative of a plurality of chromatographic features detected from a second sample,
• identify, based on the target file and the reference file, a distinct retention time offset value for each chromatographic feature included in a first subset of the plurality of chromatographic features detected from the first sample,
• determine, based on the identified distinct retention time offset values for the chromatographic features included in the first subset and based on a machine learning model, a distinct predicted retention time offset value for each chromatographic feature included in a second subset of the plurality of chromatographic features detected from the first sample, and
• assign the distinct predicted retention time offset value for each chromatographic feature included in the second subset.