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Programming the Science of Crystallography

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Programming the Science ofCrystallography

PLATON, a Multipurpose Crystallographic Tool

A.L.Spek, Utrecht University

Reflection data assumed in array REFL(I,J)

- Option #1: linear search
Memory efficient but time inefficient

- Option #2: with the help of a 3-dimensional address array
Addresses array requires worst case dimensioning

Array element ADDR(H,K,L) contains the address I

for the data in REFL(I,J)

- Option #3: with the help of a linear address array
No worst case dimensioning needed