Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70e5a7b21f1688a3b15d37cb007a69d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.228,
"b": 71.585,
"c": 100.233,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.70,2.43],
"number_observations_unique": 14787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 82.4
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.47,2.43],
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.227
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "CC(1/2)",
"value": 0.3
}
]
},
{
"resolution_limits": [2.11,2.07],
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "CC(1/2)",
"value": 0.5
}
]
},
{
"resolution_limits": [2.21,2.17],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.405
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "CC(1/2)",
"value": 0.3
}
]
}
]
}