Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78eab350f293ae26ebb506e7f8acac6f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.475,
"b": 99.474,
"c": 142.088,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.87850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.910,2.660],
"number_observations": 212442,
"number_observations_unique": 32675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.660],
"number_observations": 26466,
"number_observations_unique": 4206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [28.910,8.810],
"number_observations": 6121,
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}