Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4642229a325a86d098e7ea4e50d811a7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.198,
"b": 163.158,
"c": 77.319,
"alpha": 90.00,
"beta": 100.41,
"gamma": 90.00
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.60],
"number_observations": 210297,
"number_observations_unique": 30360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.60],
"number_observations_unique": 3032,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.485
},
{
"type": "R(meas)",
"value": 1.219
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [2.80,2.69],
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.129
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [2.93,2.80],
"number_observations_unique": 3048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [3.08,2.93],
"number_observations_unique": 3018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [3.28,3.08],
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.53,3.28],
"number_observations_unique": 3036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.88,3.53],
"number_observations_unique": 3039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.45,3.88],
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.60,4.45],
"number_observations_unique": 3043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,5.60],
"number_observations_unique": 3088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}