Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fc1d05e15ff119c717a60cbe7f133c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.174,
"b": 36.223,
"c": 131.157,
"alpha": 90.00,
"beta": 92.85,
"gamma": 90.00
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.690,2.000],
"number_observations": 84001,
"number_observations_unique": 23289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 5817,
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "R(meas)",
"value": 0.974
},
{
"type": "R(pim)",
"value": 0.511
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.572
}
]
},
{
"resolution_limits": [43.690,8.940],
"number_observations": 916,
"number_observations_unique": 286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}