CATIA

Cpmg, Anti-trosy, and Trosy Intelligent Analysis


Synopsis

Analyze CPMG relaxation dispersion data and extract chemical exchange parameters of a two-site chemically exchanging system

Description

The CATIA (Cpmg, Anti-trosy, and Trosy Intelligent Analysis) program is designed to analyze CPMG relaxation dispersion data and extract chemical exchange parameters of a two-site chemically exchanging system (A = B). Experimental relaxation dispersion curves in the form of effective transverse relaxation rates v.s. CPMG pulsing frequency are used as input for the program along with other user-defined input, such as frequency offset from the RF carrier and scalar J-coupling constants, etc.

The overall idea of the program is that the evolution matrix of the spin-system is integrated over the pulse sequence and the best-fit parameters (for example differences in chemical shift between the two exchanging sites; DeltaO) are determined by a least-squares minimization. Normally, evolution during pulses, phase cycles, longitudinal relaxation, simple cross-correlations, etc. are taken into account. Depending on the particular problem, a range of different basis sets of the spin-system and pulse-sequences can be used. For example, while analyzing a relaxation dispersion obtained by the in-phase sequence (DF Hansen, P Vallurupalli & LE Kay; 2008; J. phys. Chem B) one would normally chose a simple basis consisting of 7 elements (E, {Ix,Iy,Iz}_A,{Ix,Iy,Iz}_B), while analyzing more challenging problems such as Trosy/AntiTrosy data one would chose a more elaborate basis that also includes the distinction between Trosy and AntiTrosy. 

URL

http://www.ucl.ac.uk/hansen-lab/index.html

Versions

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