Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d7beee60fa7df14f51c4e07313a4da8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.577,
"b": 71.577,
"c": 150.579,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.460,1.780],
"number_observations": 128326,
"number_observations_unique": 37124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 7148,
"number_observations_unique": 2112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.806
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [29.460,9.090],
"number_observations": 1018,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}