Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00530362d9c31090cc962de11921c090",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.687,
"b": 95.687,
"c": 45.749,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.640,1.280],
"number_observations": 573429,
"number_observations_unique": 48980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.280],
"number_observations": 7718,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.889
},
{
"type": "R(meas)",
"value": 2.084
},
{
"type": "R(pim)",
"value": 0.850
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 52.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.298
}
]
},
{
"resolution_limits": [67.640,7.010],
"number_observations": 4458,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 66.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}