Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "191271b04547afbc1439b258d04aadf3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.603,
"b": 52.957,
"c": 44.456,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.890,1.710],
"number_observations": 95158,
"number_observations_unique": 27344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 4328,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.288
},
{
"type": "R(meas)",
"value": 1.561
},
{
"type": "R(pim)",
"value": 0.864
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.298
}
]
},
{
"resolution_limits": [54.890,9.050],
"number_observations": 789,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}