Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33c8e7b673f3214dc1a611686ec9dc3a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.073,
"b": 93.073,
"c": 130.561,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.60,1.73],
"number_observations_unique": 35537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [80.60,8.99],
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.76,1.73],
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.950
},
{
"type": "R(meas)",
"value": 2.352
},
{
"type": "R(pim)",
"value": 1.292
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.288
}
]
}
]
}