Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddb3038f9762e84a84b14ec98ed02229",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.744,
"b": 82.164,
"c": 94.216,
"alpha": 90.00,
"beta": 108.56,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.75,1.67],
"number_observations": 513483,
"number_observations_unique": 74527,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 12.37
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.75,4.97],
"number_observations": 19866,
"number_observations_unique": 2889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 50.07
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.75,3.53],
"number_observations": 36127,
"number_observations_unique": 5119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 46.42
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.75,2.88],
"number_observations": 45710,
"number_observations_unique": 6584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.38
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.75,2.50],
"number_observations": 54927,
"number_observations_unique": 7780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 17.82
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.75,2.23],
"number_observations": 62577,
"number_observations_unique": 8792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 10.75
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [44.75,2.04],
"number_observations": 66445,
"number_observations_unique": 9735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 5.70
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [44.75,1.89],
"number_observations": 71653,
"number_observations_unique": 10522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 2.77
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [44.75,1.77],
"number_observations": 77102,
"number_observations_unique": 11325,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.452
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "I/SigI",
"value": 1.25
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.57
}
]
},
{
"resolution_limits": [44.75,1.67],
"number_observations": 79076,
"number_observations_unique": 11781,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.71
},
{
"type": "R(meas)",
"value": 2.937
},
{
"type": "I/SigI",
"value": 0.63
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 6.71
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
}
]
}