Fig. 2.

Theoretical powder diffraction patterns for twisted and linear microfibril models and three reference patterns corresponding to the original crystallographic coordinates for cellulose Iβ. The upper three patterns were calculated with Debyer (Wojdyr 2012) as non-periodic 81-chain, DP 16 mini-crystals, while the lower two patterns were calculated with Mercury 2.0 (Macrae et al. 2008) with the assumption of infinite crystallite size (PWHM of 0.1° and 1.5°) to demonstrate the absence of artifacts associated with low angle scattering present in the Debyer patterns. Peak heights were each normalized to 100