Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c33c2b0cd6f3af51da9b4626d7bf663d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 142.894,
"b": 67.950,
"c": 107.464,
"alpha": 90.00,
"beta": 95.92,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.21,2.738],
"number_observations_unique": 26986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.740],
"number_observations": 6754,
"number_observations_unique": 1980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.944
},
{
"type": "R(pim)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [62.160,12.250],
"number_observations": 808,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 81.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}