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Loading Spectra

Loading Spectra

You can load a spectrum by dragging and dropping a spectrum file from your computer's file browser into the drop area or onto the sidebar. If you drag it into the drop area, it will open immediately and it will be listed under Spectra in the sidebar. If you drag your file onto the sidebar, it will be visible there, but not open in the display/drop area. You can drag and drop multiple spectra in one go.

You can also load a spectrum by going to Spectrum / Load Spectrum... in the main menu or typing LS. This will bring up a dialog box in which you can select your spectum file. You can only open one spectrum at a time this way.

Displaying Spectra

To display a spectrum in the drop area, either left-drag it from the sidebar into the drop area or right-click on it and select Open as Module. If the drop area is emtpy, you can drag your spectrum to any part of the drop area to display it. If another module is already open in the display area, you need to drag the spectrum to an edge of the display area and drop it when you see a purple box appear. See Working with Modules for more information on arranging multiple modules in your drop area.

Each spectrum display module can display multiple spectra, but the isotopes of the axes must match. To add a spectrum to a module, simply left-drag it into the module (if the axes don't match nothing will happen). See Customise Spectrum Display to find out more about displaying spectra, including how to overlay a 2D HSQC on to a triple resonance or 15N-NOESY 3D spctrum.

Data Formats / File Types

Most file types can be read into CcpNmr Analysis: Bruker, NmrPipe, UCSF, Azara, Felix, Hdf5, NmrView, Xeasy and JCAMP (1Ds only).

Bruker data: In order to open Bruker data correctly, Analysis needs to be able to read several files and not just the 1r/2rr/3rrr/.../8rrrrrrrr file (please do not rename these files!). You can drag and drop the 1r/2rr/3rrr file (or the procs file) into Analysis to open the spectrum, but they must be contained within the Bruker file structure so that Analysis can access the other files it needs to read and display the data correctly. You may like to consider converting Bruker data to UCSF data (you can do this using the bruk2ucsf script that is distributed with Sparky - see here for more information) rather than reading it directly into Analysis. This way, if you want to reprocess your data, you won't accidentally overwrite your data file (which could mean that your peaks no longer match your spectrum!).

NmrPipe data: Use file extensions .dat, .fid, .ft1, .ft2, .f3 or .ft4 .

UCSF data: Use the file extension .ucsf .

Azara data: You will need both a .spc and a .par file. Either of these can be dragged and dropped or selected and the spectrum will open.

Felix data: Use file extensions .dat or .mat .

Hdf5 data: Use file extensions .ndf5 or .hdf5 .

NmrView data: Use the file extension .nv .

Xeasy data: Use file extensions .param or .16 .

JCAMP data: Use file extensions .dx or .DX . Currently we are only able to read 1Ds in JCAMP format.