Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1eb4b6d6b8bba90aafcace6ed8efac41",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.694,
"b": 86.334,
"c": 134.504,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.655,1.139],
"number_observations": 7017400,
"number_observations_unique": 214260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1430
},
{
"type": "R(meas)",
"value": 0.1452
},
{
"type": "R(pim)",
"value": 0.0248
},
{
"type": "I/SigI",
"value": 15.13
},
{
"type": "Completeness",
"value": 89.6
},
{
"type": "Redundancy",
"value": 32.75
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.204,1.139],
"number_observations": 247895,
"number_observations_unique": 10668,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.5681
},
{
"type": "R(meas)",
"value": 1.6026
},
{
"type": "R(pim)",
"value": 0.3222
},
{
"type": "I/SigI",
"value": 2.17
},
{
"type": "Completeness",
"value": 42.5
},
{
"type": "Redundancy",
"value": 23.24
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
}
]
}