Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04d7344f0d18d1b0ed942ceed609818f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.331,
"b": 82.018,
"c": 93.719,
"alpha": 90.00,
"beta": 108.32,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.84,1.72],
"number_observations": 469889,
"number_observations_unique": 68332,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.42
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.84,5.12],
"number_observations": 18000,
"number_observations_unique": 2650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 50.15
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.84,3.63],
"number_observations": 32356,
"number_observations_unique": 4717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 47.41
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.84,2.97],
"number_observations": 40879,
"number_observations_unique": 6037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.81
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.84,2.57],
"number_observations": 49933,
"number_observations_unique": 7150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 17.98
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.84,2.30],
"number_observations": 57519,
"number_observations_unique": 8071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.17
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 10.04
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.13
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [44.84,2.10],
"number_observations": 62469,
"number_observations_unique": 8903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 5.19
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [44.84,1.94],
"number_observations": 65552,
"number_observations_unique": 9654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.698
},
{
"type": "I/SigI",
"value": 2.39
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [44.84,1.82],
"number_observations": 71374,
"number_observations_unique": 10427,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.384
},
{
"type": "R(meas)",
"value": 1.496
},
{
"type": "I/SigI",
"value": 1.00
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [44.84,1.72],
"number_observations": 71807,
"number_observations_unique": 10723,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.86
},
{
"type": "R(meas)",
"value": 3.095
},
{
"type": "I/SigI",
"value": 0.43
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.285
}
]
}
]
}