Straightforward complex analysis, single

With XRD applied to bulk materials, a detailed structural analysis of atomic positions is rather straightforward and routine for structures that can be quite complex (see chapter B 1.9) direct methods in many cases give good results in a single step, while the resulting atomic positions may be refined by iterative fitting procedures based on simulation of the diffraction process. 

In conclusion, though the inhibitor chemistry is complex, IS sees only a slightly roughened surface covered with an adsorbed film. Since this is representable by a single type of equivalent circuit, analysis of the inhibition process per se is relatively straightforward, as will be discussed below. 

As mentioned above, both cis-p-1,2 and p-rj2 172 remain vital candidates as the coordination mode of the peroxide in oxy-Hc and oxy-Tyr. The p-172 172 structure does seem, however, more likely because its particular structure gives a simpler and more straightforward account of all the unusual features of oxy-Hc. In order to distinguish these two possibilities conclusively, the synthesis and characterization of a cis-p-1,2 peroxo complex with a hydroxide bridge presents a serious challenge for inorganic chemists. On the other hand, a single-crystal X-ray analysis for oxy-Hc is currently underway and may provide a definitive answer (234). 

Electrons interact so strongly with matter that an electron can be scattered into one diffracted beam and then from that to another, even in a very thin crystal. This multiple scattering makes full theoretical treatment of electron diffraction complex [23,24]. Although obtaining an accurate electron diffraction pattern from a polymer crystal may be difficult because of its instability [32], the small thickness and low atomic number of most polymer crystals can make the analysis more straightforward. The small size of available single crystals rules out the equivalent x-ray experiment. Many structmal determinations have been... 

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