ó
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 } | d
 k s~ t ‚ | j d ƒ } g  } x@ | j j D]2 } | j | j ƒ  j ƒ  d | j ƒ  j f ƒ q  W| d d d d d g k s÷ t ‚ d  S(   Niÿÿÿÿ(   t
   cif_as_mtz(   t   file_readersª  data_r2etdsf
#
_cell.entry_id      2etd
_cell.length_a      80.4540
_cell.length_b      85.2590
_cell.length_c      53.3970
_cell.angle_alpha   90.0000
_cell.angle_beta    90.0000
_cell.angle_gamma   90.0000
#
_diffrn.id                  1
_diffrn.crystal_id          1
_diffrn.ambient_temp        ?
_diffrn.crystal_treatment   ?
#
loop_
_diffrn_radiation_wavelength.id
_diffrn_radiation_wavelength.wavelength
1 1.0163
2 0.9797
3 0.9796
#_entry.id   2etd
#
_exptl_crystal.id   1
#
_reflns_scale.group_code   1
#
_symmetry.entry_id               2etd
_symmetry.space_group_name_H-M   'C 2 2 2'
#
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.F_calc
_refln.phase_calc
1 1 1    0    2    8 o    149.0    3.1      558.1     0.0
1 1 1    0    2    9 o    217.9    4.3      119.3   180.0
1 1 1    0    2   10 o     33.3    5.3      340.6   180.0
1 1 1    0    2   11 o    389.0   10.0      692.8     0.0
1 1 1    0    2   12 o    143.5    3.7       54.5   180.0
1 1 1    0    2   13 f    801.4   36.0     1185.6     0.0
1 1 1    0    2   14 o    351.5   11.8      403.6   360.0
1 1 1    0    2   15 o    439.4   17.2      644.6   180.0
1 1 1    0    2   16 o     39.5    6.8      161.6   180.0
#END
data_r2etdAsf
#
_cell.entry_id      2etd
_cell.length_a      80.454
_cell.length_b      85.259
_cell.length_c      53.397
_cell.angle_alpha   90.000
_cell.angle_beta    90.000
_cell.angle_gamma   90.000
#
_diffrn.id                  1
_diffrn.crystal_id          1
_diffrn.ambient_temp        ?
_diffrn.crystal_treatment   ?
_diffrn.details
;   unmerged original index intensities of data set used for refinement and phasing.
;
#
_entry.id   2etd
#
_exptl_crystal.id   1
#
_reflns_scale.group_code   1
#
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.intensity_meas
_refln.intensity_sigma
1 1 1    0    2   -8  o    1544.6    130.4
1 1 1    0    2    9  o    3450.1    264.9
1 1 1    0   -2    9  o    3243.5    268.5
1 1 1    0   -2   -9  o    3475.4    265.0
1 1 1    0    2   -9  o    3420.1    260.3
1 1 1    0    2   10  o      58.8     31.8
1 1 1    0   -2  -10  o     131.7     50.7
1 1 1    0    2  -10  o      97.9     48.7
1 1 1    0   -2   11  o    9808.3    953.5
1 1 1    0   -2  -11  o   11486.1    970.3
1 1 1    0    2  -11  o   11278.1    967.8
1 1 1    0    2   12  o    1368.9    150.7
1 1 1    0   -2   12  o    1620.9    148.7
1 1 1    0   -2  -12  o    1293.5    147.6
1 1 1    0    2  -12  o    1619.5    155.7
1 1 1    0   -2   13  o   47438.3   4104.1
1 1 1    0    2   14  o    8577.5   1188.0
1 1 1    0   -2   14  o    7996.7   1179.9
1 1 1    0   -2  -14  o    9333.7   1178.1
1 1 1    0    2  -14  o    9642.3   1197.6
1 1 1    0    2   15  o   13577.7   1852.4
1 1 1    0   -2   15  o   14100.9   1852.8
1 1 1    0   -2  -15  o   14184.2   1871.6
1 1 1    0    2   16  o     135.6     76.3
1 1 1    0   -2   16  o     117.0     60.4
#END
data_r2etdBsf
#
_cell.entry_id      2etd
_cell.length_a      80.419
_cell.length_b      85.227
_cell.length_c      53.389
_cell.angle_alpha   90.000
_cell.angle_beta    90.000
_cell.angle_gamma   90.000
#
_diffrn.id                  1
_diffrn.crystal_id          1
_diffrn.ambient_temp        ?
_diffrn.crystal_treatment   ?
_diffrn.details
'   unmerged original index intensities of data set used for phasing.'
#
_entry.id   2etd
#
_exptl_crystal.id   1
#
_reflns_scale.group_code   1
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.intensity_meas
_refln.intensity_sigma
1 2 1    0    2    8  o    1095.4    110.5
1 2 1    0   -2    8  o    1105.1    117.9
1 2 1    0   -2   -8  o    1055.4    108.6
1 2 1    0    2   -8  o    1105.1    118.0
1 2 1    0    2    9  o    3795.1    366.5
1 2 1    0   -2    9  o    3925.3    371.7
1 2 1    0   -2   -9  o    3726.2    366.9
1 2 1    0    2   -9  o    3899.3    371.8
1 2 1    0    2   10  o      27.0     40.7
1 2 1    0   -2   10  o      80.7     34.8
1 2 1    0   -2  -10  o      18.3     40.3
1 2 1    0    2  -10  o      16.5     45.4
1 2 1    0    2   11  o   10830.4    977.6
1 2 1    0   -2   11  o    9647.1    972.1
1 2 1    0   -2  -11  o   10854.6    983.4
1 2 1    0    2  -11  o   10369.4    976.0
1 2 1    0    2   12  o    1143.7    131.7
1 2 1    0   -2   12  o    1378.0    140.1
1 2 1    0   -2  -12  o    1090.9    134.2
1 2 1    0    2  -12  o    1290.6    135.6
1 2 1    0   -2   13  o   44492.5   4083.0
1 2 1    0    2  -13  o   44931.1   4102.4
1 2 1    0    2   14  o    6646.0    952.7
1 2 1    0   -2   14  o    6516.6    949.1
1 2 1    0   -2  -14  o    7589.5    952.0
1 2 1    0    2  -14  o    7559.7    954.2
1 2 1    0    2   16  o     256.6     68.6
1 2 1    0   -2   16  o     137.1     67.8
1 2 1    0   -2  -16  o     307.6     69.9
1 2 1    0    2  -16  o     265.4     71.5
s   r2etd-sf.cift   ws   phenix.cif_as_mtzs   --merget    i    s   r2etd-sf.mtzs   %.4fs   FC,PHIFCs   1.0163s   FOBS,SIGFOBSs   R-free-flagss   I(+),SIGI(+),I(-),SIGI(-)s   I2(+),SIGI2(+),I2(-),SIGI2(-)s   0.9797(   s   FC,PHIFCs   1.0163(   s   FOBS,SIGFOBSs   1.0163(   s   R-free-flagss   1.0163(   s   I(+),SIGI(+),I(-),SIGI(-)s   1.0163(   s   I2(+),SIGI2(+),I2(-),SIGI2(-)s   0.9797(   t   mmtbx.command_lineR   t   iotbxR   t   opent   writeR   t   fully_bufferedt   joint   raise_if_errorst   return_codet   AssertionErrort   any_filet   file_servert   miller_arrayst   appendt   infot   label_stringt
   wavelength(   R   R   t   cif_int   argst   rct   hkl_int   l_wt   array(    (    sY   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/regression/tst_cif_as_mtz_wavelengths.pyt   exercise   s"    ³!0t   __main__t   OKN(   t
   __future__R    t   libtbxR   R   t   __name__(    (    (    sY   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/regression/tst_cif_as_mtz_wavelengths.pyt   <module>   s
   	Æ