NMR data deposition


ECI: preparation of CCPN projects for deposition

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NMR Conditions

Once you have prepared your samples, you may wish to run each sample under different conditions (such as lower temperature) to obtain all your resonance assignments. As it is possible to vary multiple conditions at a time, such as temperature, pH, ionic strength, etc., it is necessary to specify a range of conditions called condition sets. On the NMR Conditions tab of CcpNmr ECI, the top frame allows you to add multiple condition sets (with names and basic details) and for each set, you can specify a range of applicable conditions in the bottom frame.

There is a button for adding all four of the standard conditions (temperature, pH, pressure and ionic strength), while the "Add Condition" button allows you to add other conditions. For each condition, it is possible to specify a value, an error and a unit of measurement.

The NMR Conditions tab.

Add condition sets in the top frame and individual conditions in the bottom frame.