Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8ba9373525d83b4e09fc26b8f95dcba",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.256,
"b": 84.862,
"c": 88.183,
"alpha": 90.00,
"beta": 130.99,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.600,1.460],
"number_observations": 639683,
"number_observations_unique": 114822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.480],
"number_observations": 50746,
"number_observations_unique": 13097,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.406
},
{
"type": "R(meas)",
"value": 1.629
},
{
"type": "R(pim)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 76.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.463
}
]
},
{
"resolution_limits": [66.600,4.670],
"number_observations": 26185,
"number_observations_unique": 3848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}