General Description

KovriginNMR: General Description

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KovriginNMR is designed to help an intermediate-to-advanced NMR user with acquisition of data in complex NMR projects on Bruker NMR instruments. KovriginNMR offers opportunities for high-level scripting to create sophisticated NMR workflows.
KovriginNMR allows measurements with multiple samples and multiple experiments. Unlike IconNMR, it does not require complex setup of the user accounts and does not restrict actions of a user. Therefore, KovriginNMR is intended for a user very familiar with manual operation of a Bruker NMR spectrometer through a standard Topspin interface.
Functions of KovriginNMR are split in two major areas:
- multi-sample and multi-experiment workflows
- variable-temperature workflows
Measurements with multiple experiments recorded on specific samples are easily automated in KovriginNMR with complete flexibility of the types and numbers of experiments to be used. Multiple samples may be analyzed automatically with an option of performing different sets of experiments on different samples.
KovriginNMR supports variable-temperature (VT) NMR experiments in the widest temperature range with easy control of hardware and using accurate calibrations. KovriginNMR directly controls all parameters of the Bruker variable-temperature unit (VTU) and uses parameter values appropriate to the temperature range, solvent, spinner type, and type of a chiller. This allows NMR spectroscopist to focus on the NMR experiments and their results without a need to keep in mind minute details of VTU operation. KovriginNMR allows to perform automatic heating or cooling of the probe to a requested temperature with subsequent return of a spectrometer back to ambient conditions after the experiment. Automation routines for VT experiments in KovriginNMR include acquisition of series of NMR spectra at a range of temperature points. Tuning, locking, and shimming are performed prior to acquisition at every temperature point.
KovriginNMR software suite is written in Python and runs inside Topspin. The user controls it through user-defined buttons and flowbars as well as directly through writing short Python scripts calling KovriginNMR library functions.
KovriginNMR is free for academic users. Advanced users are allowed to create their own extensions for KovriginNMR, as long as they retain all copyright marks in the original Python code.

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