Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4cd58e2d7f8a33ec8cc9e214799a99f3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 105.216,
"b": 49.787,
"c": 53.926,
"alpha": 90.00,
"beta": 97.72,
"gamma": 90.00
},
"wavelengths": [0.99200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.130,2.330],
"number_observations": 80985,
"number_observations_unique": 12026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.330],
"number_observations": 11742,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "R(meas)",
"value": 1.002
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [52.130,7.360],
"number_observations": 2552,
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}