Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aab0630e63f417dc7035c858814f9300",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 50.858,
"b": 56.754,
"c": 117.168,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98390],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.060,1.890],
"number_observations": 181550,
"number_observations_unique": 13939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 11737,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [39.060,9.070],
"number_observations": 1611,
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}