Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a21877cf9e8006a2ebbf1beb5d19333d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 163.053,
"b": 72.648,
"c": 109.480,
"alpha": 90.00,
"beta": 100.85,
"gamma": 90.00
},
"wavelengths": [0.91700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.80],
"number_observations_unique": 117469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 21.01
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "Completeness",
"value": 84.6
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [1.86,1.83],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [1.90,1.86],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [1.94,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [1.98,1.94],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.03,1.98],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 3.5
}
]
}
]
}