Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0f811718058fe109f0a25c97a3a1f8d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.865,
"b": 65.730,
"c": 84.331,
"alpha": 90.00,
"beta": 93.42,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.290,1.580],
"number_observations": 287972,
"number_observations_unique": 101945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 13931,
"number_observations_unique": 7218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.908
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [59.290,7.070],
"number_observations": 3814,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}