Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fba99c8b01cb13e949cb4ca83376c54b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.096,
"b": 58.037,
"c": 62.420,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.520,1.340],
"number_observations": 170528,
"number_observations_unique": 29677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.243
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.590
}
]
},
{
"resolution_limits": [42.520,7.320],
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}