Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae0e9fb8559bfb996f5a3895e8d091d1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.311,
"b": 69.546,
"c": 95.215,
"alpha": 90.000,
"beta": 105.631,
"gamma": 90.000
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.690,3.11],
"number_observations_unique": 11493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "R(meas)",
"value": 0.40
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
"refln_shells": [
{
"resolution_limits": [3.410,3.190],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.79
},
{
"type": "R(meas)",
"value": 0.90
},
{
"type": "R(pim)",
"value": 0.801
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [10.0,8.0],
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
}
]
}