Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43b525dc9c554aff0e37d198daefaeea",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 76.987,
"b": 78.858,
"c": 283.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.590,3.200],
"number_observations": 472505,
"number_observations_unique": 14739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 32.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.200],
"number_observations": 86063,
"number_observations_unique": 2616,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.359
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 32.900
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [47.590,9.050],
"number_observations": 22175,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 30.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}