Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55d2b84442937e78b20aea60d99fb47f",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 77.34,
"b": 77.34,
"c": 71.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.690,1.380],
"number_observations": 472002,
"number_observations_unique": 45114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 16402,
"number_observations_unique": 3246,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.324
},
{
"type": "R(meas)",
"value": 1.478
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [54.690,6.170],
"number_observations": 6527,
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 68.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}