Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42b93ab56c5658978fc87c3555ed870f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 34.274,
"b": 106.783,
"c": 75.319,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.560,1.900],
"number_observations_unique": 10885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 7410,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [43.560,9.110],
"number_observations": 1421,
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}