Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8e752ca402bd3284256f4f58e30ac4d",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 76.036,
"b": 100.748,
"c": 125.229,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.19500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.250,2.600],
"number_observations": 84808,
"number_observations_unique": 15084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.613
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 9773,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.104
},
{
"type": "R(meas)",
"value": 2.326
},
{
"type": "R(pim)",
"value": 0.974
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [39.250,9.010],
"number_observations": 2129,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}