Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f00879a5f1130d9d9dbc5b265dfa3102",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.391,
"b": 70.116,
"c": 56.736,
"alpha": 90.00,
"beta": 91.64,
"gamma": 90.00
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.064,2.558],
"number_observations": 38992,
"number_observations_unique": 11838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.567,2.558],
"number_observations": 389,
"number_observations_unique": 116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.722
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [56.064,11.837],
"number_observations": 373,
"number_observations_unique": 125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}