Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00a43c18e04c6215980c5ac1d3016a9e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 79.92,
"b": 52.84,
"c": 36.76,
"alpha": 90.00,
"beta": 102.57,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,1.9],
"number_observations_unique": 10236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 87.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.90],
"number_observations_unique": 1230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 63.3
}
]
},
{
"resolution_limits": [2.17,2.02],
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 74.8
}
]
},
{
"resolution_limits": [2.39,2.17],
"number_observations_unique": 1725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 88.5
}
]
},
{
"resolution_limits": [2.74,2.39],
"number_observations_unique": 1914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 98.5
}
]
},
{
"resolution_limits": [3.45,2.74],
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [30.00,3.45],
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 97.1
}
]
}
]
}