Automated data preparation and spectral modeling

For reaction monitoring and process control using NMR instru- ments, in particular, after acquisition of the FID the data needs to be corrected in real-time for common effects using fast interfaces and automated methods. Conventionally, sensors have to be cali- brated in a first step to find a response curve between the sensor signal and physical or chemical properties of the sample. In a second step, a model of the response between these parameters (e.g., con- centrations) and the targeted quality specifications is needed. Thanks to the direct proportionality of the molar concentrations and the NMR signal, it could directly be used in the near future to relate the process target quality specification to sensor data – also in combi- nation with multiple other sensor or process information.