Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2529eff6e0917920394ab9d2a82d6d0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.255,
"b": 89.285,
"c": 86.135,
"alpha": 90.00,
"beta": 122.74,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.660,1.980],
"number_observations_unique": 61472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.980],
"number_observations": 7957,
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 68.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [20.650,8.870],
"number_observations": 6636,
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}