Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec16ee3e34c40adca3a3fa7beeaa5753",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.9,
"b": 80.2,
"c": 55.1,
"alpha": 90.0,
"beta": 107.9,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.876],
"number_observations_unique": 33530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 19.4
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.95,1.876],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 2.039
},
{
"type": "Completeness",
"value": 88.6
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.03,1.95],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.77
},
{
"type": "Completeness",
"value": 92.0
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.12,2.03],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 4.27
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.23,2.12],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 5.18
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.7
}
]
}
]
}