Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cb84c96396057299291d316cec9721b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 175.465,
"b": 97.132,
"c": 124.780,
"alpha": 90.00,
"beta": 102.74,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.2000,1.850],
"number_observations_unique": 173226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations": 105262,
"number_observations_unique": 24459,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.187
},
{
"type": "R(meas)",
"value": 1.349
},
{
"type": "R(pim)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [52.140,5.850],
"number_observations": 30422,
"number_observations_unique": 5656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}