Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b93a88992fcef47c40150dbad4eff49f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.173,
"b": 111.893,
"c": 164.775,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.194,1.7296],
"number_observations_unique": 184039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.7296],
"number_observations_unique": 4817,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.970
},
{
"type": "R(meas)",
"value": 3.398
},
{
"type": "R(pim)",
"value": 1.605
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [39.190,9.470],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}