Data Structure

Data Analysis results are organized in a hierarchy. At each hierarchy level, you can access a set of results (named field in the Custom Calculation helpers, listed in the detail part of the CC Editor).

 

Detail part of the CC Editor

• Sequence (= result set) level is the top of the hierarchy

  A sequence contains several injections.

• An Injection references a sample. One Sample can be referenced by several injections (for example, in case of replicates).

  An Injection can contain named groups.

  An Injection contains one or several signals.

• A Signal contains peaks, compounds and timed groups.

  Peaks that reference compounds are called identified peaks. Other peaks are called not identified peaks. If a compound is not referenced by a peak, it is called a missing compound.

  A compound or a timed group can reference a calibration curve.

 

Organization of Custom Calculation results

Custom Calculation results can be stored at 4 levels (scopes in the Custom Calculation editor): Sequence, Injection, Signal, and Peak or group (Peak, compound, timed group or named group).