E-map improvement in direct procedures
作者： A. Altomare , G. Cascarano , C. Giacovazzo , D. Viterbo
DOI: 10.1107/S0108767391006566
关键词: Mathematics 、 Representation (mathematics) 、 Quality (physics) 、 Amplitude 、 Experimental uncertainty analysis 、 Series (mathematics) 、 Truncation 、 Fourier series 、 Fourier transform 、 Calculus 、 Algorithm
摘要: The quality of an E map is usually affected by systematic and/or random phase errors, amplitude truncation effects in the series representation electron density, experimental uncertainty estimation |E| and intrinsic nature Fourier coefficients used (i.e. E's). It shown that simple supplemental calculations can improve map. Large molecular fragments often be localized new even when original one not easily interpretable.
sci-hub.se 参考文章(1)
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