Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4988bf53e89877138494f3926b7553a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.456,
"b": 114.499,
"c": 120.822,
"alpha": 90.00,
"beta": 100.57,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.500,2.110],
"number_observations": 376495,
"number_observations_unique": 112716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.110],
"number_observations": 16747,
"number_observations_unique": 5542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 1.054
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [114.500,11.560],
"number_observations": 2573,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
}
]
}