Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56f950392f8c3f4672fcc3974962b1a9",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 154.4,
"b": 70.7,
"c": 159.4,
"alpha": 90.0,
"beta": 112.8,
"gamma": 90.0
},
"wavelengths": [0.97964],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.54,2.65],
"number_observations_unique": 92708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 9.89
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.870
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.650],
"number_observations_unique": 14050,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.72
},
{
"type": "R(meas)",
"value": 1.86
},
{
"type": "I/SigI",
"value": 0.99
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.46
}
]
},
{
"resolution_limits": [3.600,2.800],
"number_observations_unique": 41372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.41
},
{
"type": "R(meas)",
"value": 0.44
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
}
]
}