Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bf841b31c6e5f8a2ad501d9a5439fc5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.144,
"b": 112.752,
"c": 188.438,
"alpha": 90.00,
"beta": 91.41,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.134,1.748],
"number_observations": 2259735,
"number_observations_unique": 322292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.748],
"number_observations": 111455,
"number_observations_unique": 16116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
},
{
"resolution_limits": [99.134,5.292],
"number_observations": 104988,
"number_observations_unique": 16114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.5
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}