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retrieving_coordinates_of_negative_fourier_peaks [topas wiki]

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retrieving_coordinates_of_negative_fourier_peaks

Retrieving coordinates of negative Fourier peaks

The test_examples\fourier-map-ae14.inp file if run with:

fourier_map_formula = -Fcalc;

will flip the intensities. Picking atoms will then identify the negative intensities.

Alan Coelho 2011/08/25 19:09

retrieving_coordinates_of_negative_fourier_peaks.txt · Last modified: 2022/11/03 15:08 by 127.0.0.1