Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad4b0eadbbeea9d783b6e86700f64b70",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 123.705,
"b": 123.705,
"c": 66.300,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.230,1.560],
"number_observations": 1681179,
"number_observations_unique": 83093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.560],
"number_observations": 84529,
"number_observations_unique": 4052,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.746
},
{
"type": "R(meas)",
"value": 1.789
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [45.230,8.540],
"number_observations": 11115,
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 67.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}