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Rocky Mountains Conference EPR Workshop: DEER Analysis programs testing

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Page 1: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

Rocky Mountains Conference

EPR Workshop: DEER Analysis programs

testing

Page 2: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

Sen I., Logan, T. and Fajer P., Biochemistry, 2007;46:11639-49.

http://fajerpc.magnet.fsu.edu/Programs/DEFit/defit.html

DEFit (for CW spectra:

CwdipFit)

Page 3: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

• 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 Core2, Matlab 2007b

Page 4: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

2a

•components A and B very well defined:narrow distributionsassymetric population

•component (c) badly defined component

C

A,B

3 Gaussians

Page 5: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

2b

Noisy data => large error surfaceaverage distance better defined than the distribution

Page 6: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

data0001

Excellent definition of three populations … complex assymetricpopulation

Page 7: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

data0002

one population, very well defined

Page 8: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

data0003

•components A and B very well defined:narrow distributionsassymetric population

•component (c) badly defined component

Page 9: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

last0001

Page 10: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

last0002

Spikes are not always spikes! two components one very narrow

Page 11: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

last0003

two components one very narrow

Page 12: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

last0004

Page 13: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

DATA1

low modulation depth, very long distance and very broad

Page 14: Rocky Mountains Conference EPR Workshop: DEER Analysis ...fajer/Programs/DEFit/Fajer_Sen... · • The spectrum naming (slide titles) follow the key provided by the panel moderator,

DATA2

three components, chi2 impovement 6x from 2 components.one extremely sharp