Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb9f786a7e318c84bf00a5d537b03268",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.502,
"b": 71.502,
"c": 150.880,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.250],
"number_observations": 1219280,
"number_observations_unique": 107796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 18681,
"number_observations_unique": 4801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [29.440,6.850],
"number_observations": 9599,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}