Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58025dc431bb90a71dddfef12173ba89",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.192,
"b": 63.390,
"c": 72.260,
"alpha": 90.00,
"beta": 91.15,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.080,2.680],
"number_observations": 70641,
"number_observations_unique": 13841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.680],
"number_observations": 10729,
"number_observations_unique": 2043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [56.080,8.460],
"number_observations": 2498,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}