Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a454e610c879b59b57a8b0f81dcde3c6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.615,
"b": 112.572,
"c": 62.652,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.870,1.400],
"number_observations_unique": 57744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 37535,
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.128
},
{
"type": "R(meas)",
"value": 2.213
},
{
"type": "R(pim)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [41.870,7.670],
"number_observations": 4925,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 39.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}