Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ece4b53a3392bdde5ca8b6a6b0cdf2fe",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.605,
"b": 57.953,
"c": 49.802,
"alpha": 90.00,
"beta": 112.32,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,1.650],
"number_observations": 113311,
"number_observations_unique": 31215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 5048,
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [49.330,9.040],
"number_observations": 682,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}