Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5662793aff894964a581383a2eab16bf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 95.80,
"b": 68.56,
"c": 97.22,
"alpha": 90.00,
"beta": 118.66,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.895,2.100],
"number_observations_unique": 31772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 13.860
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.457
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 2047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 2.580
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 2.343
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.578
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations_unique": 2252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 4.460
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.063
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations_unique": 2204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 5.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.618
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 2109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 6.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.775
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations_unique": 2042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.756
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations_unique": 1988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 9.150
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.755
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 10.750
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.728
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations_unique": 1827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 12.840
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.693
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 14.980
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.656
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.950
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.636
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations_unique": 1560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 20.660
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.637
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 23.460
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.612
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 26.030
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.569
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 27.460
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.548
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 28.840
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.579
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations_unique": 1047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.607
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.550
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.625
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.380
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.581
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.895,9.390],
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.333
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}