Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05c70bca8df2d1001d45d94d4a719521",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.31,
"b": 80.47,
"c": 142.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,3.2],
"number_observations_unique": 11672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 3.78
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
"refln_shells": [
{
"resolution_limits": [3.28,3.20],
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "Completeness",
"value": 87.6
},
{
"type": "CC(1/2)",
"value": 0.159
}
]
},
{
"resolution_limits": [3.37,3.28],
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "Completeness",
"value": 90.2
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [3.47,3.37],
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "Completeness",
"value": 91.0
},
{
"type": "CC(1/2)",
"value": 0.216
}
]
},
{
"resolution_limits": [3.58,3.47],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "CC(1/2)",
"value": 0.78
}
]
}
]
}