Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71ad30f7505a26a75bd1ba8225b64d58",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.646,
"b": 88.067,
"c": 165.581,
"alpha": 90.000,
"beta": 90.767,
"gamma": 90.000
},
"wavelengths": [1.28096],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.083,2.50],
"number_observations_unique": 55542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [47.04,10.61],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.57,2.50],
"number_observations_unique": 4531,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.727
},
{
"type": "R(meas)",
"value": 2.038
},
{
"type": "R(pim)",
"value": 1.073
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
}
]
}