Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2f0e9c40c859f90db4d825dff7af0bb",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.307,
"b": 67.307,
"c": 166.807,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.630,1.810],
"number_observations": 490474,
"number_observations_unique": 21275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 23.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 30066,
"number_observations_unique": 1230,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.636
},
{
"type": "R(meas)",
"value": 2.691
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.400
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [19.630,9.050],
"number_observations": 3411,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}