Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66d2417135395856a4711474af75cdde",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.756,
"b": 94.772,
"c": 75.745,
"alpha": 90.0,
"beta": 92.9,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.500,2.300],
"number_observations_unique": 38421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 1894,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.360
},
{
"type": "R(meas)",
"value": 1.468
},
{
"type": "R(pim)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [61.530,6.240],
"number_observations_unique": 1978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
}
]
}