Programming the science of crystallography
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Programming the Science of Crystallography. PLATON, a Multipurpose Crystallographic Tool A.L.Spek, Utrecht University. How to find the data belonging to a given reflection hkl in a linear list of reflection data. Reflection data assumed in array REFL(I,J) Option #1: linear search

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Programming the Science of Crystallography

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Programming the science of crystallography

Programming the Science ofCrystallography

PLATON, a Multipurpose Crystallographic Tool

A.L.Spek, Utrecht University


How to find the data belonging to a given reflection hkl in a linear list of reflection data

How to find the data belonging to a given reflection hkl in a linear list of reflection data

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


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