Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0890a108eeecb132108d06d04a27281d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.332,
"b": 52.696,
"c": 44.479,
"alpha": 90.00,
"beta": 102.87,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.740,1.650],
"number_observations": 106106,
"number_observations_unique": 30036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 4350,
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.373
},
{
"type": "R(meas)",
"value": 1.687
},
{
"type": "R(pim)",
"value": 0.958
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [54.740,9.040],
"number_observations": 796,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}