Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93b2e737f3aee02ca6bbd95a2695d74b",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 67.583,
"b": 67.583,
"c": 221.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.090,2.980],
"number_observations_unique": 18108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 3.379
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.379
},
{
"type": "R(meas)",
"value": 2.75
},
{
"type": "R(pim)",
"value": 0.671
},
{
"type": "I/SigI",
"value": 0.680
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.126
},
{
"type": "CC(1/2)",
"value": 0.200
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.534
},
{
"type": "R(meas)",
"value": 1.782
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 3.133
},
{
"type": "CC(1/2)",
"value": 0.277
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.225
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [3.990,3.650],
"number_observations_unique": 2390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.356
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [4.460,3.990],
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.415
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [5.140,4.460],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 5.010
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.711
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [6.270,5.140],
"number_observations_unique": 1611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 7.610
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 3.750
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [8.780,6.270],
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 13.310
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 3.684
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [37.090,8.780],
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.605
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}