Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb2a3ac68df01fe460a3e221af31ad15",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.171,
"b": 106.707,
"c": 207.650,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [146.180,3.250],
"number_observations": 416989,
"number_observations_unique": 15675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.029
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
"refln_shells": [
{
"resolution_limits": [3.340,3.250],
"number_observations": 34867,
"number_observations_unique": 4606,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.608
},
{
"type": "R(meas)",
"value": 2.798
},
{
"type": "R(pim)",
"value": 1.006
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.293
}
]
},
{
"resolution_limits": [146.180,13.790],
"number_observations": 5258,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
}
]
}