Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8564fc4dea9f9aff1762aa949e1d6e77",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.647,
"b": 112.165,
"c": 62.619,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.600,1.200],
"number_observations_unique": 90514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 16840,
"number_observations_unique": 4422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [45.600,6.570],
"number_observations": 1942,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}