Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8462388e8b89ef121f5f0b8ef1e10d0",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 94.31,
"b": 94.31,
"c": 113.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97929,0.91837,0.97894],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.54,2.750],
"number_observations_unique": 13932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 10.850
},
{
"type": "Completeness",
"value": 95.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.85,2.75],
"number_observations": 8805,
"number_observations_unique": 2297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 86.70
}
]
},
{
"resolution_limits": [2.96,2.85],
"number_observations": 8529,
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 89.80
}
]
},
{
"resolution_limits": [3.10,2.96],
"number_observations": 9500,
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 92.10
}
]
},
{
"resolution_limits": [3.26,3.10],
"number_observations": 9309,
"number_observations_unique": 2415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 94.50
}
]
},
{
"resolution_limits": [3.46,3.26],
"number_observations": 9345,
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [3.73,3.46],
"number_observations": 9908,
"number_observations_unique": 2573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [4.10,3.73],
"number_observations": 9809,
"number_observations_unique": 2542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [4.69,4.10],
"number_observations": 9839,
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 18.6
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [29.54,4.69],
"number_observations": 9792,
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 19.1
},
{
"type": "Completeness",
"value": 99.60
}
]
}
]
}