Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9cc51162a6d8a2cf513d875a1b9c8b5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 28.631,
"b": 66.290,
"c": 44.030,
"alpha": 90.00,
"beta": 91.29,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.02,1.95],
"number_observations": 82492,
"number_observations_unique": 12079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.95],
"number_observations": 3300,
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "R(pim)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
}
]
}