Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3e368e379dae32b5576e219396a96418",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 124.656,
"b": 124.656,
"c": 126.553,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [126.55,2.86],
"number_observations_unique": 23007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 26.3
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [126.55,9.04],
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 21.9
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.01,2.86],
"number_observations_unique": 3391,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.890
},
{
"type": "R(meas)",
"value": 6.110
},
{
"type": "R(pim)",
"value": 1.621
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.2
},
{
"type": "CC(1/2)",
"value": 0.550
}
]
}
]
}