Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c23affbddae0bb3718090e968605a55",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.705,
"b": 66.316,
"c": 91.246,
"alpha": 90.00,
"beta": 101.44,
"gamma": 90.00
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.430,1.830],
"number_observations": 317274,
"number_observations_unique": 84006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.830],
"number_observations": 45658,
"number_observations_unique": 12117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "R(meas)",
"value": 1.126
},
{
"type": "R(pim)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [89.430,5.780],
"number_observations": 9987,
"number_observations_unique": 2773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}