Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "092434fb7159403f82f097d1968c3dcc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.581,
"b": 96.576,
"c": 57.929,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.960,1.710],
"number_observations": 139454,
"number_observations_unique": 24766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 2389,
"number_observations_unique": 1031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [28.960,9.040],
"number_observations": 1253,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}