Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18a21f90572131bd041e9791344dfed4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.436,
"b": 56.851,
"c": 64.811,
"alpha": 90.00,
"beta": 94.78,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.10,1.22],
"number_observations": 441918,
"number_observations_unique": 73473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.1
},
{
"type": "Completeness",
"value": 79.2
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.24,1.22],
"number_observations": 2702,
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.175
},
{
"type": "R(meas)",
"value": 1.459
},
{
"type": "R(pim)",
"value": 0.852
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
}
]
}