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The value of is the most important parameter, and the hardest to pick. Start with 1.0 Å or half the near-neighbor distance. You may then want to adjust it to a value where is a small fraction of the maximum of the for the first peak. Remember that the region you use for background-removal cannot be used in analysis. In fact the analysis of the first shell should begin on the next independent data point after , namely , where is the k -range of the data. Don't go too far into the first shell or you won't have any data to analyze! A summary of suggested ranges for the most sensitive parameters in autobk is given in Table 3.
|Keyword||Suggested Range of Values||Notes|
|Kmin||0.00 - 0.20||unless there is a ``white line''|
|Kweight||0 or 1||3 is probably too big|
|Dk||not bigger than 1.|
|Rbkg||1.0 or half Rnn||keep|
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