Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdc086a211c467d02d4cc8320f7ddd5b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 40.140,
"b": 40.140,
"c": 203.343,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.670,2.100],
"number_observations": 125391,
"number_observations_unique": 10614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 9110,
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.050
},
{
"type": "R(meas)",
"value": 1.102
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [101.670,8.910],
"number_observations": 1745,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}