Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40b2042edd6fcd498a2817e0a74af085",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 35.571,
"b": 35.571,
"c": 81.128,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.810,1.050],
"number_observations_unique": 53538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations": 8428,
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [30.810,5.650],
"number_observations": 988,
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 51.100
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}