Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd5736f887f7cb320f220b8f79903489",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.91,
"b": 27.35,
"c": 56.52,
"alpha": 90.00,
"beta": 99.42,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.900,1.200],
"number_observations": 107711,
"number_observations_unique": 37842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.200],
"number_observations": 4588,
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 84.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [40.900,5.370],
"number_observations": 1415,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 53.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}