Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "159eab1a721e58ff488ec8e19f7d31d8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.316,
"b": 80.151,
"c": 63.237,
"alpha": 90.00,
"beta": 89.64,
"gamma": 90.00
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.7,1.950],
"number_observations_unique": 44912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 11171,
"number_observations_unique": 3154,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.687
},
{
"type": "R(meas)",
"value": 1.989
},
{
"type": "R(pim)",
"value": 1.047
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [29.690,8.950],
"number_observations": 1635,
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}