Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3de5834172a7b8b95e058b21b1fe6e5e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 272.143,
"b": 49.508,
"c": 67.304,
"alpha": 90.000,
"beta": 96.043,
"gamma": 90.000
},
"wavelengths": [1.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.26,1.80],
"number_observations_unique": 78159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [45.26,9.18],
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 2396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 50.4
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
}
]
}