Apparatus and method for analyzing chemical system data

A computer readable memory to direct a computer to function in a specified manner, comprising:

• chemistry data characterizing the chemical activity of a chemical system;
• model predictions for said chemical system;
• and
• executable instructions stored in said memory, said executable instructions including instructions to process said chemistry data and said model predictions, which in combination constitutes over specified system data with more known chemistry data than unknown model predictions, to generate chemistry diagnostic information from said over specified system data.

A method of analyzing chemistry data, said method comprising the steps of:

• accumulating chemistry data characterizing the chemical activity of a chemical system;
• generating model predictions for said chemical system;
• and
• deriving chemistry diagnostic information from said chemistry data and said model predictions, which in combination constitutes over specified system data with more known chemistry data than unknown model predictions.