Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bdd39ad31e4b3cdd52f7e7ca3cb9beef",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.019,
"b": 74.531,
"c": 118.739,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.122,1.488],
"number_observations": 77946,
"number_observations_unique": 17839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.644,1.488],
"number_observations": 3734,
"number_observations_unique": 1163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 70.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [48.122,5.200],
"number_observations": 4112,
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}