Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0d87a1678c81c59f9db8b7a1d8fac9e4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.484,
"b": 83.734,
"c": 58.930,
"alpha": 90.00,
"beta": 108.21,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.860,1.530],
"number_observations": 414162,
"number_observations_unique": 72074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.530],
"number_observations": 5968,
"number_observations_unique": 2226,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.215
},
{
"type": "R(meas)",
"value": 1.551
},
{
"type": "R(pim)",
"value": 0.939
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 58.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [41.860,8.380],
"number_observations": 3036,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 93.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}