Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5130eed0b79af171de672126b5f0b880",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.358,
"b": 41.020,
"c": 53.067,
"alpha": 90.00,
"beta": 111.39,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.680,2.100],
"number_observations": 46818,
"number_observations_unique": 12642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 3992,
"number_observations_unique": 1061,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.092
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "R(pim)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
}
]
}