Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "271d2eb42df880aa8c5ca5541e8fdf4c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 226.677,
"b": 131.200,
"c": 97.560,
"alpha": 90.00,
"beta": 108.82,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.340,1.820],
"number_observations": 940304,
"number_observations_unique": 233196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.820],
"number_observations": 47655,
"number_observations_unique": 11608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [92.340,9.980],
"number_observations": 6850,
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}