Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "486e6412c467e3f7dacc653069b3f8ab",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.729,
"b": 35.028,
"c": 82.548,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.274,1.402],
"number_observations_unique": 17577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 22.08
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.49,1.402],
"number_observations_unique": 4937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 1.68
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 6.52
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [1.59,1.49],
"number_observations_unique": 4779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.96
},
{
"type": "I/SigI",
"value": 3.23
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
}
]
}