Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2d893a6605b562dbeed19fd55aebc02",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 174.647,
"b": 174.647,
"c": 72.118,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.320,2.2670],
"number_observations_unique": 19599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 26299,
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.020
},
{
"type": "R(meas)",
"value": 1.081
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [87.320,7.170],
"number_observations": 5700,
"number_observations_unique": 669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}