UI Stuff

Often it is very useful to allow the user to interface directly with the data during processing and analysis. This is particularly important when decisions need to be made by a user (e.g. which peak to reference to, or which spectra are outliers that need to be excluded), but also captured by the script. By doing this, we can standardize, streamline, and isolate the user contribution avoid transcription and data input errors and make analysis easier.

We have developed user interaction include:

Peak referencing:

Manual bucketing (feature definition):

Reference spectrum selection:

Outlier identification/removal:

Spectral annotation:

Alignment: