Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3107998a97d578c2e86afe6871fd59c9",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 79.044,
"b": 79.044,
"c": 233.312,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.40,1.70],
"number_observations_unique": 31368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.33,9.00],
"number_observations_unique": 252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 70.1
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.179
},
{
"type": "R(meas)",
"value": 1.288
},
{
"type": "R(pim)",
"value": 0.572
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
}
]
}