Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "771610d5f2bf7058dfa4698c49890e42",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 167.897,
"b": 223.273,
"c": 193.139,
"alpha": 90.00,
"beta": 100.94,
"gamma": 90.00
},
"wavelengths": [0.97665],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.700,3.560],
"number_observations": 580773,
"number_observations_unique": 83440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
"refln_shells": [
{
"resolution_limits": [3.630,3.560],
"number_observations": 32694,
"number_observations_unique": 4552,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.794
},
{
"type": "R(meas)",
"value": 3.012
},
{
"type": "R(pim)",
"value": 1.120
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.303
}
]
}
]
}