Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dee3e0e06f224dfd6765fefe5563ca35",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 41.198,
"b": 64.079,
"c": 84.529,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.06,1.52],
"number_observations_unique": 17632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [51.06,8.33],
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.8
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.55,1.52],
"number_observations_unique": 859,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.931
},
{
"type": "R(meas)",
"value": 3.931
},
{
"type": "R(pim)",
"value": 1.070
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
}
]
}