Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fe3a1db225cfabda2f57f05c1e2e27c",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.33,
"b": 59.82,
"c": 80.18,
"alpha": 79.34,
"beta": 81.47,
"gamma": 75.65
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.340,1.730],
"number_observations": 155169,
"number_observations_unique": 87469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 10161,
"number_observations_unique": 6388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [78.340,7.740],
"number_observations": 1862,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}