Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df5107a4e1f85f00d9102396eb0c7a1a",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.04,
"b": 48.17,
"c": 92.11,
"alpha": 98.97,
"beta": 92.34,
"gamma": 90.01
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.0400,1.740],
"number_observations_unique": 79469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations_unique": 4275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [47.000,9.040],
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}