Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "843469c05d0553310857c8c31ebca0e6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 86.95,
"b": 86.95,
"c": 114.48,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.950,2.000],
"number_observations": 622935,
"number_observations_unique": 30391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 41223,
"number_observations_unique": 2198,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.396
},
{
"type": "R(meas)",
"value": 4.519
},
{
"type": "R(pim)",
"value": 1.037
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [86.950,8.940],
"number_observations": 8023,
"number_observations_unique": 423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}