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CRAFT Symposium at SMASH

A Symposium About

Coordinated by Krish Krishnamurthy and
sponsored by MR Resources

CRAFT at SMASH 2018 Sign Up

August 8, 2018

Announcing the titles for the post-SMASH symposium on CRAFT
Thursday September 20th at the Sheraton Philadelphia-Downtown Hotel

We are pleased to announce the titles for the symposium about CRAFT, to be held all-day Thursday, September 20th, the day after the meeting of SMASH. The subject will be a tutorial about CRAFT (Complete Reduction to Amplitude Frequency Table) for high throughput NMR.

The symposium is free of charge thanks to generous support from MR Resources. We begin at 8:30 AM with registration. Tutorials and talks will begin at 9:00 AM and continue to late afternoon. A catered lunch will be served around noon.

All are welcome to participate in our exciting symposium and explore this emerging technology and processing tool. The symposium is open to everyone (though registration for SMASH is not a pre-requisite to attend this symposium we encourage everyone to attend SMASH as well) and SMASH attendees are encouraged to make the most of this tutorial opportunity, which has become a regular Thursday event after the conference. Pre-registration is now open at www.mrr.com or at www.smashnmr.org, but just drop in as well.

The speakers and titles for the CRAFT symposium

• Frank Delaglio, NIST - "Just in time: How time domain quantification works adn whey it works better"
• David Russell, Genentech - “Food science and omics samples: Getting a simple number from complex spectra”
• Andreas Kaerner, Eli Lilly and Company - – “ContiNUS: Improving time and digital resolution via CRAFT processing of time-resolved NUS 2D-NMR data”
• Ron Crouch, JEOL USA - “Classic qNMR, weight-percent purity analysis”
• Anthony Ribeiro, Duke University - “NMR information, not spectra: 1D CRAFT”
• Takanori Komatsu, JEOL, Japan - "NMR quantification toward the real world"
• Andrea Sefler, Duke University - “NMR information, not spectra: 2D CRAFT”
• Krish Krishnamurthy, Chempacker LLC - “Ask not how better to do what you do, ask why you do what you do”

What is the CRAFT Tool?

Conventional high-throughput, automated NMR analysis (be it for quantitative or structural/dynamic studies) has historically focused on increasing the throughput of the data collection and/or its reduction to tabular format. Significant bottlenecks exist in the reduction of the spectral domain to the tabular domain, particularly for high-complexity systems, where critical, manual intervention and guidance become necessary from the user.

Time-domain analysis (i.e., extraction of frequency, amplitude, linewidth and phase directly from the FID) has been proposed in the past for data reduction to a table. The recently proposed CRAFT (Complete Reduction to Amplitude Frequency Table) technique relies on a Bayesian statistical approach for converting NMR time-domain data directly to the tabular domain, an approach which is potentially a new paradigm for spectral analysis. In this new paradigm, the frequency domain data (the “spectrum”) is no more than a visualization tool for the tabular domain, in contrast to “conventional processes” where the tabular domain is a derivative of the spectrum.

The CRAFT approach redefines the conventional steps in data processing. This symposium attempts to show, through examples and applications, how CRAFT circumvents and/or redefines the familiar operations of NMR data reduction (i.e. phase correction, baseline correction, linear prediction, solvent suppression, dynamic range, 2D and NUS analysis, etc.).

See you at SMASH and the CRAFT Symposium!

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