Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4c8763478efa70d4eeaa05b5593f364",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 66.17,
"b": 48.42,
"c": 44.61,
"alpha": 90.00,
"beta": 113.27,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97947,0.97891],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.922,1.40],
"number_observations_unique": 23150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.440
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 2.149
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.5
}
]
},
{
"resolution_limits": [1.51,1.45],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 2.0
}
]
},
{
"resolution_limits": [1.58,1.51],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.7
}
]
},
{
"resolution_limits": [1.66,1.58],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 3.6
}
]
},
{
"resolution_limits": [1.76,1.66],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.8
}
]
},
{
"resolution_limits": [1.90,1.76],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.4
}
]
},
{
"resolution_limits": [2.09,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.4
}
]
},
{
"resolution_limits": [2.39,2.09],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.0
}
]
},
{
"resolution_limits": [3.01,2.39],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.8
}
]
},
{
"resolution_limits": [24.92,3.01],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.1
}
]
}
]
}