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V3 Highlights

AnalysisAssign V3 Highlights

Undo

Most actions within Analysis can be undone using Ctrl Z (or Cmd Z on a Mac). Actions can be re-done with Ctrl/Cmd Y.

Drag and drop spectra and other data into your project

Simply drag and drop a spectrum file or other NMR related data file (sequence file, PDB file, NEF file etc.) from your file browser into the program and it will load automatically. Go to Loading Spectra or Adding Sequences for more information.

Drag and Drop strips

If you want to change the order of your strips, simply left-drag them by the strip name to a new position within that module.

Easily change the aspect ratio

You can easily change the aspect ratio of your spectrum by scrolling the mouse wheel on one of the axes. This selectively zooms that axis, thereby, in effect, changing the aspect ratio. You can lock the aspect ratio by clicking on LOCK in the bottom left-hand corner of the spectrum display. Go to Zooming for more information on aspect ratios and zooming.

Easily flip your spectra

If you have a spectrum which you would like to flip in order to show it in a different axis arrangement, you can simply type XY, XZ or YZ to swap the axes in question. Go to Flipping Spectra for more information.

Quick assignments

If you already have the assignments for an HSQC, you can quickly add these to your spectrum. Load your spectrum and sequence, create a new NmrChain and then drag and drop a residue from the NmrChain onto a selected peak to make the assignment. Go to Quick Assignments for more information

Easy backbone assignment routine

Our new backbone assignment routine makes this process even easier than before. Simply drag and drop strips in order to link residues into a chain and search for the next match. Go to Help / Tutorials / Backbone Tutorial or the Backbone Assignment video tutorial for details.

Multiplet support

Multiplets are supported both in 1D and ND spectra. Simply select the peaks that make up a multiplet, right-click and select New multiplet. The peaks will be connected, the chemical shift will be placed at the centre of the multiplet and a new entry is made into the Multiplet list of that spectrum.

Spectrum groups

If you have a large number of spectra in your project, you can keep them organised by creating spetrum groups. Simply select several spectra and then right-click and select Make SpectrumGroup From Selected. You can group your spectra in whatever way you would like (including placing spectra into multiple different groups). This is particularly helpful for groups of spectra on which you want to perform data analysis tasks (e.g. dynamics or titration data). Go to Organising Spectra with Spectra Groups for more details

NEF support

Analysis fully supports the new NMR Exchange Format (NEF). You can both import and export your data in NEF format via Project / NEF, the IN or EX keyboard shortcuts, or by dragging a NEF file into the program. This should ensure smooth transfer of data between different NMR software packages.

Analysis Modules

The above features are all part of our AnalysisAssign module which forms the basis of our program. Built on top of this are modules for Screening (AnalysisScreen) and Metabolomics (AnalysisMetabolomics). An AnalysisStructure module is currently in the development phase.