DEFit (for CW spectra: Cwdip. Fit) Sen I. , Logan, T. and Fajer P. , Biochemistry, 2007; 46: 11639 -49. http: //fajerpc. magnet. fsu. edu/Programs/DEFit/defit. html
• All spectra were provided by the anonymous symposium participants and analyzed blindly using DEFit (till today we don’t know what the spectra are) • The spectrum naming (slide titles) follow the key provided by the panel moderator, Dr. Eric Hustedt. • Hardware: Intel Duo Core 2, Matlab 2007 b
2 a 3 Gaussians C A, B • components A and B very well defined: narrow distributions assymetric population • component (c) badly defined component
2 b Noisy data => large error surface average distance better defined than the distribution
data 0001 Excellent definition of three populations … complex assymetric population
data 0002 one population, very well defined
data 0003 • components A and B very well defined: narrow distributions assymetric population • component (c) badly defined component
last 0001
last 0002 Spikes are not always spikes! two components one very narrow
last 0003 two components one very narrow
last 0004
DATA 1 low modulation depth, very long distance and very broad
DATA 2 three components, chi 2 impovement 6 x from 2 components. one extremely sharp