Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3411147e6c0700ec148ebc7e97c962b7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.743,
"b": 86.752,
"c": 126.596,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,1.650],
"number_observations": 388655,
"number_observations_unique": 61412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 27180,
"number_observations_unique": 4304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.775
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [29.210,7.360],
"number_observations": 4834,
"number_observations_unique": 798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}