Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d7824cab6933ef8355f965d467f4930",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 63.15,
"b": 63.15,
"c": 117.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.600,2.070],
"number_observations": 213269,
"number_observations_unique": 17190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.407
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.070],
"number_observations": 35002,
"number_observations_unique": 2824,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.645
},
{
"type": "R(meas)",
"value": 1.716
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.394
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [2.350,2.200],
"number_observations": 31747,
"number_observations_unique": 2520,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.144
},
{
"type": "R(meas)",
"value": 1.192
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.598
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [2.540,2.350],
"number_observations": 30427,
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "R(meas)",
"value": 0.797
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.662
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.780,2.540],
"number_observations": 27444,
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 6.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.526
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.100,2.780],
"number_observations": 23871,
"number_observations_unique": 1969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 9.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.123
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.590,3.100],
"number_observations": 20728,
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 13.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.321
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.390,3.590],
"number_observations": 19321,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 25.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.728
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.210,4.390],
"number_observations": 16066,
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 13.234
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.600,6.210],
"number_observations": 8663,
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 31.970
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.032
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}