Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "45200f3cdd6552bc9a05ba702daaf8db",
"space_group_name": "P 61",
"unit_cell": {
"a": 84.365,
"b": 84.365,
"c": 198.320,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03329],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.58,2.62],
"number_observations_unique": 24021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [49.58,9.08],
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 27.1
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.74,2.62],
"number_observations_unique": 2935,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.114
},
{
"type": "R(meas)",
"value": 2.412
},
{
"type": "R(pim)",
"value": 1.147
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
}
]
}