Diffusion Manual Outline

More documents

Recommendations

Info

18 The equation is in the form I (q) = I o e-Dq2∆’ The fitting routine will therefore fit a single exponential decay. The fit should be quite accurate if there is a single species is represented for a particular peak at a specific chemical shift. The values GC1IO and GC1D represent the estimates for the amplitudes and the diffusion coefficients. Since the amplitudes are normalized to one GC1IO is set to 1. The estimate for the diffusion coefficient should be set to the correct order of magnitude in units m2/s. GC1D is set to 1e-09 m2/s. The values SC1IO and SC1D represent the initial steps for the fitting routing and they are usually set to on tenth of the corresponding values in the left column. SC1IO = 0.1 and SC1D = 1e-10 m2/s. Save the guesses and return to the edt1 menu. Now save the edt1 menu. 8. Under the Process menu you can now Pick intensities exactly at point or you can type pdo on the command line. A graph of your data points as a function of variable gradient strength will be displayed. 9. To fit the data, choose Multi-component fit from the Process menu or type simfit on the command line.
19 10. To view the results on the screen the “CURPRINT” in the edo menu must be set to “$screen”. If “CURPRINT” is set to a specific printer you will get a printout of the results. The results are also stored in the processed data directory in a file called simfit.out. 11. To eliminate a corrupted data point you put the cursor into the graphical window. Move the cursor to the point which you wish to remove and press the middle mouse button. Double click on the left button to exit the elimination function. Now you can fit the data again by typing simfit at the command line.
Page 1 and 2: 1 MEASURING DIFFUSION BY NMR Bruker
Page 3 and 4: 3 Chapter 1 Section 1.1 Introductio
Page 5 and 6: 5 Figure 1.1 Simple gradient echo e
Page 7 and 8: 7 Figure 1.4 Shows the attenuation
Page 10 and 11: 10 Chapter 2 Hardware and Probe Con
Page 12 and 13: 12 Enter the first gradient amplitu
Page 14 and 15: 14 2. Fill out the table accordingl
Page 16 and 17: 16 Section 3.4: DOSY Data Analysis
Page 20 and 21: 20 Appendix Pulse Sequences and Cor
Page 22 and 23: 22 } } { (0) | (0) | (0) } p19 { (0
Page 24 and 25: 24 GRADIENT2(cnst23) d16 d30 4u BLK
Page 26 and 27: 26 ledbp2s Another good way to decr
Page 28 and 29: 28 loop l20 { p16 { (0) | (0) | (0)
Page 30 and 31: 30 } p19 { (0) | (0) | (0),sin(cnst
Page 32 and 33: 32 GRADIENT(cnst21) d16 p1 ph6 GRAD

Diffusion Manual Outline

Create successful ePaper yourself

Delete template?

Save as template?