Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "67eba14661e9fcbbe930bb2af6be8cd8",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 101.731,
"b": 137.423,
"c": 239.874,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.940,3.000],
"number_observations": 295546,
"number_observations_unique": 67304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,3.000],
"number_observations": 20906,
"number_observations_unique": 4525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [119.940,14.070],
"number_observations": 2155,
"number_observations_unique": 639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}