Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ceabe8465b21df80a4bc54400ff7525",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 114.403,
"b": 75.473,
"c": 114.792,
"alpha": 90.00,
"beta": 97.06,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.870,1.966],
"number_observations": 522829,
"number_observations_unique": 137994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.972,1.966],
"number_observations": 5548,
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.388
},
{
"type": "R(meas)",
"value": 2.778
},
{
"type": "R(pim)",
"value": 1.404
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.272
}
]
},
{
"resolution_limits": [85.870,9.121],
"number_observations": 5022,
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}