Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "863c1538c01a17c6dc7dfb2252d1ea93",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.433,
"b": 63.193,
"c": 114.608,
"alpha": 90.00,
"beta": 90.79,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.430,1.950],
"number_observations": 119067,
"number_observations_unique": 40149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8478,
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(meas)",
"value": 1.068
},
{
"type": "R(pim)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
}
]
}