Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1eb980a49cfafc1666a2b73857999a5c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 68.426,
"b": 90.317,
"c": 102.151,
"alpha": 90.00,
"beta": 96.08,
"gamma": 90.00
},
"wavelengths": [0.97787],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.500],
"number_observations": 148028,
"number_observations_unique": 21196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 1067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 1023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 1062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.760,5.380],
"number_observations_unique": 1079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [30.000,6.760],
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}