Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "877f9dbd44c83fcf24fb8a5c08897b57",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 96.966,
"b": 96.966,
"c": 215.872,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.260,1.700],
"number_observations": 987283,
"number_observations_unique": 119674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 52191,
"number_observations_unique": 6349,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.317
},
{
"type": "R(meas)",
"value": 1.408
},
{
"type": "R(pim)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.628
}
]
},
{
"resolution_limits": [78.260,9.310],
"number_observations": 7223,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}