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Figure 1
Fourier contour maps for artificial crystallographic peptide data. The function ρpept_a(n) is an exact electron-density distribution for the peptide model with B = 1 Å2; ρpept_b(n) is the corresponding Fourier synthesis at a resolution of 0.5 Å. ρpept_c(n) is the Fourier synthesis at a resolution of 1.0 Å for the same model completed by a water molecule and taken with B = 5 Å2. All H atoms were excluded from the calculations.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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