Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f94e7c6f77f6e1bdb548a15b8633ffda",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.941,
"b": 82.032,
"c": 93.699,
"alpha": 90.00,
"beta": 108.11,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.85,1.72],
"number_observations": 471404,
"number_observations_unique": 67314,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 12.01
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.85,5.13],
"number_observations": 18009,
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 49.63
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.85,3.64],
"number_observations": 32763,
"number_observations_unique": 4670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 46.28
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.85,2.97],
"number_observations": 41405,
"number_observations_unique": 5979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.36
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.85,2.58],
"number_observations": 50095,
"number_observations_unique": 7079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 16.44
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.85,2.30],
"number_observations": 57026,
"number_observations_unique": 7917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 9.59
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [44.85,2.10],
"number_observations": 62386,
"number_observations_unique": 8764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 5.24
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [44.85,1.95],
"number_observations": 65160,
"number_observations_unique": 9471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.698
},
{
"type": "I/SigI",
"value": 2.56
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [44.85,1.82],
"number_observations": 70810,
"number_observations_unique": 10173,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.374
},
{
"type": "R(meas)",
"value": 1.483
},
{
"type": "I/SigI",
"value": 1.16
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.96
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [44.85,1.72],
"number_observations": 73750,
"number_observations_unique": 10630,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.746
},
{
"type": "R(meas)",
"value": 2.964
},
{
"type": "I/SigI",
"value": 0.53
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
}
]
}