Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "eca0f82aa5181f412c955829c8a36ac6",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.31,
"b": 81.31,
"c": 135.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.870,2.080],
"number_observations": 630736,
"number_observations_unique": 31880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 44881,
"number_observations_unique": 2325,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.663
},
{
"type": "R(meas)",
"value": 1.709
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [34.870,9.300],
"number_observations": 5678,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}