Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "249a257839b4a09a600c0ff1f292e4e7",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.943,
"b": 105.985,
"c": 120.907,
"alpha": 90.00,
"beta": 89.76,
"gamma": 90.03
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,3.393],
"number_observations_unique": 30393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
"refln_shells": [
{
"resolution_limits": [3.52,3.393],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 68.9
},
{
"type": "Redundancy",
"value": 1.8
}
]
},
{
"resolution_limits": [3.66,3.52],
"quality_factors": [
{
"type": "Completeness",
"value": 73.2
}
]
},
{
"resolution_limits": [3.83,3.66],
"quality_factors": [
{
"type": "Completeness",
"value": 82.2
}
]
},
{
"resolution_limits": [4.03,3.83],
"quality_factors": [
{
"type": "Completeness",
"value": 89.3
}
]
},
{
"resolution_limits": [4.28,4.03],
"quality_factors": [
{
"type": "Completeness",
"value": 96.4
}
]
},
{
"resolution_limits": [4.61,4.28],
"quality_factors": [
{
"type": "Completeness",
"value": 98.9
}
]
},
{
"resolution_limits": [5.08,4.61],
"quality_factors": [
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [5.81,5.08],
"quality_factors": [
{
"type": "Completeness",
"value": 99.4
}
]
},
{
"resolution_limits": [7.32,5.81],
"quality_factors": [
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [100,7.32],
"quality_factors": [
{
"type": "Completeness",
"value": 98.8
}
]
}
]
}