Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ed308a99588948eeae70b0212b4463d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.14,
"b": 57.89,
"c": 114.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.070,2.070],
"number_observations": 142520,
"number_observations_unique": 21886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 10444,
"number_observations_unique": 1560,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.628
},
{
"type": "R(meas)",
"value": 1.764
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [28.070,9.260],
"number_observations": 1681,
"number_observations_unique": 288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 52.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}