Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b1f1bee758ad93dddb8cbb62fb6749aa",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 79.048,
"b": 79.048,
"c": 233.480,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.52,1.77],
"number_observations_unique": 27838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [39.52,9.03],
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.7
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.81,1.77],
"number_observations_unique": 1560,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.253
},
{
"type": "R(meas)",
"value": 1.416
},
{
"type": "R(pim)",
"value": 0.652
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
}
]
}