Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abfc1e778f76d398eec77ea2e2f9e62d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.522,
"b": 97.078,
"c": 58.207,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.890],
"number_observations": 106129,
"number_observations_unique": 18576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 2289,
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 0.903
},
{
"type": "R(pim)",
"value": 0.479
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 69.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [29.100,9.080],
"number_observations": 1223,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}