Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42e584983d5ef4fb7644d22c9090a738",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 51.140,
"b": 109.484,
"c": 33.865,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.330,1.300],
"number_observations": 330751,
"number_observations_unique": 47595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 16930,
"number_observations_unique": 2339,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.283
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [46.330,7.000],
"number_observations": 2130,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}