Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7ff260cb4f55cd8b3ea552bd748fc14f",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.640,
"b": 88.640,
"c": 39.451,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.320,0.950],
"number_observations": 1284276,
"number_observations_unique": 192033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 52729,
"number_observations_unique": 9161,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.792
},
{
"type": "R(meas)",
"value": 1.970
},
{
"type": "R(pim)",
"value": 0.805
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.559
}
]
},
{
"resolution_limits": [44.320,5.200],
"number_observations": 8507,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}