Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ae113fe70001f4e29c9d0332f4787f8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.918,
"b": 56.943,
"c": 114.888,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.900,1.420],
"number_observations": 408391,
"number_observations_unique": 65094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 25623,
"number_observations_unique": 4749,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.439
},
{
"type": "R(meas)",
"value": 1.596
},
{
"type": "R(pim)",
"value": 0.684
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [51.900,6.350],
"number_observations": 5107,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}