Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85e92a4a1cc4c7ebc745bfc721de9b35",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 83.006,
"b": 83.006,
"c": 421.373,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [210.687,3.547],
"number_observations": 327391,
"number_observations_unique": 17599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.801,3.547],
"number_observations": 16808,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.695
},
{
"type": "R(meas)",
"value": 2.769
},
{
"type": "R(pim)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 51.100
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [210.686,10.959],
"number_observations": 12439,
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}