Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f55532d6607cd2bdd87e7127f264c4dd",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.444,
"b": 71.444,
"c": 150.844,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.420,1.650],
"number_observations": 616218,
"number_observations_unique": 47783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 26078,
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(meas)",
"value": 0.864
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [29.420,9.040],
"number_observations": 3883,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 87.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}