Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80d1652e287a25e94e9c140c381613cf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.605,
"b": 58.056,
"c": 49.899,
"alpha": 90.0,
"beta": 112.7,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.870,1.700],
"number_observations": 100588,
"number_observations_unique": 29415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 4716,
"number_observations_unique": 1540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [46.870,9.000],
"number_observations": 706,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}