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lines changed Original file line number Diff line number Diff line change 6
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Mozilla Public License, version 2.0; see LICENSE.
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"""
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- __version__ = '0.4.97 '
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- __date__ = '2024-11-23 '
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+ __version__ = '0.4.98 '
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+ __date__ = '2024-12-02 '
Original file line number Diff line number Diff line change @@ -27,7 +27,7 @@ def correlation(obs, calc):
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return numpy .corrcoef (obs [sel ], calc [sel ])[0 ,1 ]
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def df_from_asu_data (asu_data , label ):
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- df = pandas .DataFrame (data = asu_data .miller_array ,
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+ df = pandas .DataFrame (data = asu_data .miller_array . astype ( numpy . int32 ) ,
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columns = ["H" ,"K" ,"L" ])
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if type (asu_data ) is gemmi .ValueSigmaAsuData :
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df [label ] = to64 (asu_data .value_array [:,0 ])
@@ -37,7 +37,7 @@ def df_from_asu_data(asu_data, label):
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return df
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def df_from_raw (miller_array , value_array , label ):
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- df = pandas .DataFrame (data = miller_array ,
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+ df = pandas .DataFrame (data = miller_array . astype ( numpy . int32 ) ,
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columns = ["H" ,"K" ,"L" ])
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df [label ] = to64 (value_array )
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return df
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