Aggregation quality
Two different algorithms are used to detect Aggregation from a TRIC-trace.
In a Binding Check experiment or a Single-Dose Screening the fluctuations are quantified within the TRIC trace.
For Binding Affinity analysis or Affinity Screening data, a multi-trace algorithm is applied that compares all TRIC-traces obtained for one ligand with one another and searches for significant deviations.
One algorithm is used to detect aggregation from well-scans: The wells have a fitting formula for the well shape. If the shape of the well is different from the fitted well shape, they will be flagged as well scans anomalies.
The aggregation quality is flagged in orange if the aggregation algorithms detect aggregation. Otherwise, the aggregation quality is set to a tick, meaning no aggregation is detected. The user can override the automatic setting of aggregation quality in Quality Checks.
For Spectral Shift, a well scan anomaly can be due to aggregation, but also because of dust in the bottom of the plate or inside the well. Therefore, well scans will be flagged whenever any deviation from the normal shape appears in any X, Y, or Z measurement.