Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea37ff94aef8a02e41c59e0cd4865eb6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 177.48,
"b": 97.25,
"c": 77.21,
"alpha": 90.00,
"beta": 93.47,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.580,2.480],
"number_observations": 154530,
"number_observations_unique": 45839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.480],
"number_observations_unique": 6706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [88.580,7.850],
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}