Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2408b0e38aaf3b86fa7395a06ed0bb8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.764,
"b": 78.965,
"c": 152.882,
"alpha": 90.00,
"beta": 94.49,
"gamma": 90.00
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.231,2.900],
"number_observations_unique": 44890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
"refln_shells": [
{
"resolution_limits": [3.010,2.900],
"number_observations_unique": 4696,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.004
},
{
"type": "R(meas)",
"value": 2.261
},
{
"type": "R(pim)",
"value": 1.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.275
}
]
},
{
"resolution_limits": [47.231,10.850],
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}