Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e0da92e2ad4c1d7a04fd15ecbbaa495",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 80.187,
"b": 80.187,
"c": 114.841,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.250,1.650],
"number_observations": 487014,
"number_observations_unique": 51872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 24989,
"number_observations_unique": 2562,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.525
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [44.250,9.040],
"number_observations": 3426,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 68.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}