Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "168d670e3fd4f230bcd9629e87273da9",
"space_group_name": "P 1",
"unit_cell": {
"a": 57.144,
"b": 62.854,
"c": 63.010,
"alpha": 77.15,
"beta": 77.00,
"gamma": 77.86
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.530,1.970],
"number_observations": 204851,
"number_observations_unique": 56880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 14311,
"number_observations_unique": 3904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.843
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [44.530,9.030],
"number_observations": 2124,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}