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retrieving_coordinates_of_negative_fourier_peaks [topas wiki]

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retrieving_coordinates_of_negative_fourier_peaks [2011/08/25 06:51] – created alancoelhoretrieving_coordinates_of_negative_fourier_peaks [2022/11/03 15:08] (current) – external edit 127.0.0.1
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 +====== Retrieving coordinates of negative Fourier peaks ======
  
 +The test_examples\fourier-map-ae14.inp file if run with:
 +
 +<code topas>fourier_map_formula = -Fcalc;</code> 
 +
 +will flip the intensities. Picking atoms will then identify the negative intensities.
 +
 + --- //[[alan.coelho@bigpond.com|Alan Coelho]] 2011/08/25 19:09//