Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "52de29c27ef1bb9200fd05cc998fc9e7",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 48.843,
"b": 48.843,
"c": 194.255,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.56,1.88],
"number_observations_unique": 22952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.56,9.01],
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 65.2
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.92,1.88],
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.362
},
{
"type": "R(meas)",
"value": 1.516
},
{
"type": "R(pim)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
}
]
}