NMR data deposition


ECI: preparation of CCPN projects for deposition

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NMR Data

Select the NMR Data tab at the top of CcpNmr ECI, and in the top frame, you can see what NMR measurements and derived datasets you have in your project (for example, chemical shift lists, peak lists, T1 measurements, order parameters, etc.).

There are buttons to select all measurements to be submitted or all of them to not be submitted. Click on one of the types of measurement that has one data set included. In the bottom frame, all the data sets for this type of measurement will be shown. You can then toggle individual lists on or off to be selected for deposition by double clicking in the "Submit?" field or using the buttons at the bottom of the frame. In addition, there are buttons for selecting or deselecting all lists for this measurement type. Selected lists are shown in green.

For all measurement lists except peak lists, it is possible to select from the list of software added in the References tab which software was used to record the data. However, it is also necessary for the software that you choose to have an associated method selected for it. This is because there is not a direct link between software and measurement lists in CCPN. If you select a piece of software lacking a method, then a pop-up window will tell you that you need to add a method in the References tab.

Note that if you toggle a peak list on and you used analysis to make your peak list, the relevant NMR Experiments that were used to pick the peaks will automatically be selected for deposition and cannot be toggled off. If you wish to add more datasets at this time from files in other formats, it is possible to open the desktop version of CcpNmr FormatConverter in the menu bar under the heading CcpNmr, and you can then import those files into the CCPN project that is open (follow the FormatConverter link to see how to import external datasets).

The NMR Data tab.

The top frame shows the different measurement lists in your CCPN project and the bottom tab allows you to select individual lists to deposit.