Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df0c0ab732e3623f4b2160e38f58d958",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.243,
"b": 164.441,
"c": 118.642,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.11,2.39],
"number_observations": 375114,
"number_observations_unique": 78289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
"refln_shells": [
{
"resolution_limits": [2.44,2.39],
"number_observations": 13595,
"number_observations_unique": 3829,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.516
},
{
"type": "R(meas)",
"value": 4.076
},
{
"type": "R(pim)",
"value": 2.008
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.114
}
]
}
]
}