Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0be07dfbbd23f6b04a9452ebf4218cc",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 73.52,
"b": 99.11,
"c": 65.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.050,1.900],
"number_observations_unique": 36512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2662,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.058
},
{
"type": "R(meas)",
"value": 1.212
},
{
"type": "R(pim)",
"value": 0.568
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [59.050,8.500],
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}