cagey#

Streamlined automated data analysis.

Classes

MassSpectrumPeak

A peak in a mass spectrum.

MassSpectrumTopologyAssignment

A topology assignment for a mass spectrum peak.

NmrPeak

An NMR peak.

NmrSpectrum

An NMR spectrum.

Precursor

A reaction precursor.

Precursors

The precursors for a reaction.

Reaction

A reaction.

ReactionKey

A unique identifier for a reaction.

Row

A row in a database table.

TurbidState

The turbidity of a reaction solution.

Modules

cagey.ms

Mass spectrum analysis.

cagey.nmr

NMR analysis.

cagey.queries

Database queries.

cagey.reactions

Add reaction data to the database.

cagey.turbidity

Turbidity analysis.