Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "401ea26c85f464cc1cd16d1d98dc1b0e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 44.328,
"b": 163.758,
"c": 81.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54179],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.330,2.280],
"number_observations_unique": 27950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.280],
"number_observations": 19420,
"number_observations_unique": 2710,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.147
},
{
"type": "R(meas)",
"value": 1.237
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [45.330,8.830],
"number_observations": 3473,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}