Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "350f14c68a5de8b8a6571f551dc7dd0e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.713,
"b": 56.970,
"c": 64.791,
"alpha": 90.00,
"beta": 94.72,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.14,1.49],
"number_observations": 339006,
"number_observations_unique": 51579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.51,1.49],
"number_observations": 12903,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.995
},
{
"type": "R(meas)",
"value": 2.227
},
{
"type": "R(pim)",
"value": 0.975
},
{
"type": "I/SigI",
"value": 0.2
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
}
]
}