Fast NMR Methods at ICMRBS 2014

On Wednesday the 27th August, we wil be presenting a workshop on Fast NMR Data acquisition methods, with a focus on GFT data acquisition, nonuniform sampling and subsequent processing. Below is a brief outline of what we will be presenting. There will be an opportunity to work on your own data so bring along your Linux or Mac OS X laptop with nmrPipe already installed. See below for details on getting the hmsIST reconstruction software that works along with nmrPipe. However, a laptop with software is not neccessary to participate.


We will be briefly introduce some of the different fast NMR methods used today for biomolecular structure determination followed by history, theory and context for GFT and nonuniform sampling (NUS) techniques. What are the various ways to quicken the pace of data collection? What are the implications for various methods? If we are going to skip points, what points are the best points to acquire? How fast can we go? These are the things we will discuss.

NUS Pulse Sequences and Utilizing Poisson Gap Sampling Schedules:

We will present a quick tutorial on how to convert Topspin 2.1 pulse sequences into NUS sequences and how to implement Poisson Gap Sampling Schedules with them.

We will continue with the setting up of NUS experiments with Topspin 3.0+ and Agilent sotfware so they can use Poisson Gap Sampling Schedules.

How to Process NUS Data:

A large amount of the workshop will cover processing of Nonuniform Sampled data. That is, how do we recover a useable spectrum from the data we did acquire?

We will primarily discuss processing with hmsIST and nmrPipe. Examples will include 2D and 3D spectrum processing, both of which can be performed easily on modest laptop computers running Linux or Mac OS X. Bring your laptop!!! Common mistakes will be covered and knowledge on how to process data with different acquisition modes will be developed.

BYO Linear Data!:

Bring along a regular data set. We will show you how to create a NUS version of the data and then you can attempt to reconstruct it. Of course if you have been acquiring nonuniform data and have been having trouble with reconstruction, bring it along and we will get you up and running.

Get The Software:

For the hmsIST reconstruciton software, contact . If you would like the Topspin 3.0+ Macro that automatically sets up Poisson Gap Sampling schedules, contact for the package.

Combination of NUS with other fast methods:

NUS can be combined with other fast NMR methods such GFT NMR. This will be briefly discussed at the workshop. For more details, see here.