Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4f766cef2b9194164ab0a319a8b0b75",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 275.644,
"b": 217.218,
"c": 104.635,
"alpha": 90.00,
"beta": 110.98,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.1,2.67],
"number_observations_unique": 140056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.67],
"number_observations": 47577,
"number_observations_unique": 6940,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.436
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [49.670,15.340],
"number_observations": 5584,
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}