Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93f7e7cdc3905ca16b0b7591cff8b8b2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.154,
"b": 113.098,
"c": 189.301,
"alpha": 90.00,
"beta": 91.49,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.042,2.148],
"number_observations": 1118580,
"number_observations_unique": 159834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 89.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.369,2.148],
"number_observations": 54622,
"number_observations_unique": 7992,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.658
}
]
},
{
"resolution_limits": [104.042,6.729],
"number_observations": 55461,
"number_observations_unique": 7992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}