Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "38f538c3840feb6d56a1e84d93b8dba0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.419,
"b": 51.556,
"c": 79.018,
"alpha": 90.0,
"beta": 92.2,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.39,1.51],
"number_observations": 376071,
"number_observations_unique": 55691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.51],
"number_observations": 15811,
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.854
},
{
"type": "R(meas)",
"value": 2.013
},
{
"type": "R(pim)",
"value": 0.770
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
}
]
}