Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd1bcc8169cff4f57eb68bd614d42efc",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 97.722,
"b": 97.722,
"c": 215.999,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.630,1.700],
"number_observations": 1071901,
"number_observations_unique": 123682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 34563,
"number_observations_unique": 3998,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.891
},
{
"type": "R(meas)",
"value": 2.010
},
{
"type": "R(pim)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 62.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.501
}
]
},
{
"resolution_limits": [84.630,9.310],
"number_observations": 6821,
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}