Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f2b56dfdc921b87aadb8a2029b514f4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.999,
"b": 105.274,
"c": 81.317,
"alpha": 90.00,
"beta": 109.77,
"gamma": 90.00
},
"wavelengths": [1.34138],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.89,1.60],
"number_observations_unique": 119233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [37.89,8.75],
"number_observations_unique": 119233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 4355,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.037
},
{
"type": "R(meas)",
"value": 1.221
},
{
"type": "R(pim)",
"value": 0.628
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.592
}
]
}
]
}