Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36f0653acc36c25834aa1ad04a3e5eb3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.116,
"b": 42.175,
"c": 89.913,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.840,1.540],
"number_observations": 296078,
"number_observations_unique": 22270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.540],
"number_observations": 4908,
"number_observations_unique": 973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [19.840,8.410],
"number_observations": 1625,
"number_observations_unique": 161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}