madscatt / zazzie

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check calculation of x-ray SLD: contrast calculator #142

Open skrueger111 opened 1 year ago

skrueger111 commented 1 year ago

The x-ray SLD for a typical protein is calculated to be ~12.5 using both MULCh and contrast calculator. However, a recent literature value states it is ~11.6. This discrepancy can have a major effect on the contrast calculation since the value for the solvent (~9.4) is in agreement with the literature. Since MULCh and contrast calculator were written with SANS in mind, this issue wasn't noted until now. Check our table of scattering lengths for elements and residues to see if the x-ray values are different from the literature. mahieu_gabel_review.pdf