Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "552335387c8f65a63fa396f8032d5bc3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.917,
"b": 83.683,
"c": 95.523,
"alpha": 90.00,
"beta": 91.64,
"gamma": 90.00
},
"wavelengths": [2.80000,3.75000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.7,2.1],
"number_observations_unique": 40997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 76.6
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.1],
"number_observations_unique": 4890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 62.7
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 9812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
}
]
}