Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57f42323e456de7b883072a5a5c27b5e",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 124.20,
"b": 124.20,
"c": 40.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.100,1.570],
"number_observations": 500488,
"number_observations_unique": 50805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 30858,
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.501
},
{
"type": "R(meas)",
"value": 1.601
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.670
}
]
},
{
"resolution_limits": [62.100,7.020],
"number_observations": 5971,
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 55.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}