Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fc44e3393ef2dd7f3de87d1f5f5ad18",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 122.954,
"b": 33.082,
"c": 78.858,
"alpha": 90.00,
"beta": 114.28,
"gamma": 90.00
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.000,1.910],
"number_observations": 68435,
"number_observations_unique": 21346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 2867,
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 58.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [57.000,8.540],
"number_observations": 843,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}