Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a471cd1102e0e3690b21078bc21d5c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.141,
"b": 53.454,
"c": 44.425,
"alpha": 90.00,
"beta": 100.52,
"gamma": 90.00
},
"wavelengths": [0.91261],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.11,1.18],
"number_observations": 180548,
"number_observations_unique": 70687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 81.8
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.20,1.18],
"number_observations": 962,
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 1.1
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
}
]
}