Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69ae0469d753907a80997be1453970a4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.80,
"b": 76.39,
"c": 113.76,
"alpha": 90.00,
"beta": 93.91,
"gamma": 90.00
},
"wavelengths": [0.96410],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.1,1.8],
"number_observations_unique": 69030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 21.01
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.85,1.80],
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 51.5
},
{
"type": "I/SigI",
"value": 3.17
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [3.60,3.29],
"quality_factors": [
{
"type": "R(merge)",
"value": 2.1
},
{
"type": "I/SigI",
"value": 50.49
},
{
"type": "Completeness",
"value": 99.1
}
]
},
{
"resolution_limits": [4.65,3.60],
"quality_factors": [
{
"type": "R(merge)",
"value": 2.0
},
{
"type": "I/SigI",
"value": 52.55
},
{
"type": "Completeness",
"value": 99.0
}
]
},
{
"resolution_limits": [5.69,4.65],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.7
},
{
"type": "I/SigI",
"value": 54.14
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [8.05,5.69],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.8
},
{
"type": "I/SigI",
"value": 53.96
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [18.1,8.05],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.6
},
{
"type": "I/SigI",
"value": 57.27
},
{
"type": "Completeness",
"value": 95.6
}
]
}
]
}