Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b8f079a30f12f16f4a73f0db4283e15",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 62.80,
"b": 89.26,
"c": 61.49,
"alpha": 90.00,
"beta": 96.67,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.070,1.420],
"number_observations": 179818,
"number_observations_unique": 60967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 8428,
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.908
},
{
"type": "R(pim)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [61.070,6.350],
"number_observations": 2297,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}