Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8061bd07e15e6de824112a264c7d7629",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 196.986,
"b": 196.986,
"c": 147.512,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.250,3.000],
"number_observations": 750979,
"number_observations_unique": 34292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.150,3.000],
"number_observations": 100102,
"number_observations_unique": 4468,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.785
},
{
"type": "R(meas)",
"value": 1.826
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [49.250,9.950],
"number_observations": 20331,
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}