Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7839147012fa30e890d478e2cfd92f14",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 158.941,
"b": 91.835,
"c": 95.716,
"alpha": 90.00,
"beta": 107.52,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.920,1.7990],
"number_observations_unique": 121101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 20386,
"number_observations_unique": 5676,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.902
},
{
"type": "R(meas)",
"value": 3.396
},
{
"type": "R(pim)",
"value": 1.751
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.200
}
]
},
{
"resolution_limits": [45.920,9.850],
"number_observations": 2429,
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.500
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}