Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fafdcb90ea560e21f3117620fa9ce58",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.73,
"b": 100.13,
"c": 143.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.650,2.500],
"number_observations": 168215,
"number_observations_unique": 23063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 17862,
"number_observations_unique": 2526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [71.650,9.010],
"number_observations": 3873,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}