Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aaed146ba01a3716ac4d4378891a7037",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 174.86,
"b": 38.13,
"c": 190.97,
"alpha": 90.000,
"beta": 106.152,
"gamma": 90.000
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.97,1.90],
"number_observations_unique": 96690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 5.96
},
{
"type": "Completeness",
"value": 98
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [52.92,10.4],
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 4677,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "R(meas)",
"value": 1.225
},
{
"type": "R(pim)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
}
]
}