Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a990964fd4686845a7a49d7d22ec737",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.962,
"b": 82.489,
"c": 110.024,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.670,1.380],
"number_observations": 770543,
"number_observations_unique": 95569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 32004,
"number_observations_unique": 4403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [36.670,7.560],
"number_observations": 3681,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 48.300
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}