Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "003f521eac988925852d4e6e37f046a6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.125,
"b": 58.034,
"c": 49.970,
"alpha": 90.00,
"beta": 112.51,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.30,1.50],
"number_observations": 252077,
"number_observations_unique": 42470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.50],
"number_observations": 12695,
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.017
},
{
"type": "R(meas)",
"value": 1.111
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
}
]
}