Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "680e9948490173d9c09c4822c74c02fc",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.315,
"b": 59.910,
"c": 80.078,
"alpha": 79.34,
"beta": 81.27,
"gamma": 75.59
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.060,1.850],
"number_observations": 125372,
"number_observations_unique": 71454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 9561,
"number_observations_unique": 5283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [50.060,8.270],
"number_observations": 1523,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}