Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e8a11db9abfc72f5a1fc3e5cf7df30d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.737,
"b": 34.971,
"c": 45.833,
"alpha": 90.00,
"beta": 93.32,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.760,1.600],
"number_observations": 55600,
"number_observations_unique": 16432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 1249,
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "R(meas)",
"value": 1.103
},
{
"type": "R(pim)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 65.800
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [45.760,8.770],
"number_observations": 318,
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}