Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7728863891d5643b6d8482e6c47f5448",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 59.85,
"b": 59.85,
"c": 215.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.730,1.840],
"number_observations": 368490,
"number_observations_unique": 39681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 27144,
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.921
},
{
"type": "R(meas)",
"value": 2.034
},
{
"type": "R(pim)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [71.730,8.230],
"number_observations": 4734,
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 66.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}