Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7261f4469a0ba5386611b2ef6f320d84",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 169.86,
"b": 169.86,
"c": 169.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.030,3.050],
"number_observations": 418216,
"number_observations_unique": 16585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.260,3.050],
"number_observations": 69015,
"number_observations_unique": 2940,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.379
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.500
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [49.030,8.630],
"number_observations": 20487,
"number_observations_unique": 851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 56.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}