12.08.2013 Views

software to fit optical spectra - Quantum Materials Group

software to fit optical spectra - Quantum Materials Group

software to fit optical spectra - Quantum Materials Group

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

It is tempting <strong>to</strong> press immediately the but<strong>to</strong>n, but this wouldn’t work until we tell<br />

the program that we want <strong>to</strong> <strong>fit</strong> the “R1.DAT” dataset <strong>to</strong> the model “Model1”. The way <strong>to</strong> do it<br />

is <strong>to</strong> add the corresponding term <strong>to</strong> the chi-square (Equation 2-12). Click the but<strong>to</strong>n.The<br />

window “Add ChiSq term” will show up (Figure 3-13). In the list “Available ChiSq terms”<br />

there is only one possibility: “[R] “R1.DAT”-“Model1”” (there would be much more if more<br />

models and datasets were available). Select this item and click .<br />

Figure 3-13 Adding chi-square terms.<br />

Now the <strong>fit</strong>ting problem is well specified (Figure 3-14). The number of points in the<br />

spectrum is 4792 and the number of <strong>fit</strong>ted parameters is 7. You can also see how big the chisquare<br />

is.<br />

Figure 3-14 The “Fit” window after the adding of a chi-square term.<br />

Now we can press the but<strong>to</strong>n. You might notice that the match considerably<br />

improved (Figure 3-15) and the chi-square has decreased more than 10 times. It is a good idea<br />

save the model again, perhaps with a different name, e.g., “MODEL2.RFM”.<br />

Guide <strong>to</strong> RefFIT Page 32

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!