Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ce469ae63da2314bcc7f3653a70cd86",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.586,
"b": 49.017,
"c": 53.763,
"alpha": 90.00,
"beta": 110.04,
"gamma": 90.00
},
"wavelengths": [1.25452],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.070,1.6570],
"number_observations_unique": 24275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.660],
"number_observations": 21942,
"number_observations_unique": 3508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [39.070,5.240],
"number_observations": 5090,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}