Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0234e467f1a5b2edd2c15ad62a3c94ce",
"space_group_name": "P 1",
"unit_cell": {
"a": 72.796,
"b": 72.974,
"c": 132.893,
"alpha": 80.74,
"beta": 86.53,
"gamma": 64.18
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,2.1],
"number_observations_unique": 136876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 11.56
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.236
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 2.61
},
{
"type": "Completeness",
"value": 95.0
}
]
},
{
"resolution_limits": [2.400,2.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 3.30
},
{
"type": "Completeness",
"value": 95.9
}
]
},
{
"resolution_limits": [2.500,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 4.16
},
{
"type": "Completeness",
"value": 96.6
}
]
},
{
"resolution_limits": [3.000,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 7.72
},
{
"type": "Completeness",
"value": 97.1
}
]
},
{
"resolution_limits": [4.000,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 18.27
},
{
"type": "Completeness",
"value": 97.1
}
]
},
{
"resolution_limits": [5.000,4.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 29.66
},
{
"type": "Completeness",
"value": 96.7
}
]
}
]
}