Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1dec545004d99c82434805d4b705b1cc",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.91,
"b": 99.91,
"c": 99.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.980,1.600],
"number_observations": 228899,
"number_observations_unique": 25427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 13653,
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.743
},
{
"type": "R(meas)",
"value": 1.879
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.500
}
]
},
{
"resolution_limits": [49.980,7.160],
"number_observations": 2824,
"number_observations_unique": 324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}