Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "693667b78eb0b9a74014fb392a86930b",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 134.69,
"b": 134.69,
"c": 53.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.47,2.330],
"number_observations_unique": 10699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 23.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.330],
"number_observations": 14271,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.625
},
{
"type": "R(meas)",
"value": 1.670
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [49.420,10.420],
"number_observations": 2780,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}