Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d650d363ad5f8154f3937b5e080a00a9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.827,
"b": 36.827,
"c": 142.100,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.65,1.096],
"number_observations_unique": 41291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 20.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.115,1.096],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.818
},
{
"type": "R(meas)",
"value": 3.944
},
{
"type": "R(pim)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 16.3
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Redundancy",
"value": 11.2
}
]
}
]
}