Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20dff8a763115210b38cb3fa98bb38b1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.348,
"b": 39.788,
"c": 131.895,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.700,1.700],
"number_observations": 132133,
"number_observations_unique": 34422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 6443,
"number_observations_unique": 1769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.766
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [43.700,9.000],
"number_observations": 918,
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}