Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "534b22203ab78b4a5de66dd756d81dd8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.050,
"b": 69.018,
"c": 74.168,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.345],
"number_observations_unique": 44710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.48
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
"refln_shells": [
{
"resolution_limits": [1.40,1.345],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [1.45,1.40],
"quality_factors": [
{
"type": "Completeness",
"value": 92.9
}
]
},
{
"resolution_limits": [1.52,1.45],
"quality_factors": [
{
"type": "Completeness",
"value": 93.0
}
]
},
{
"resolution_limits": [1.60,1.52],
"quality_factors": [
{
"type": "Completeness",
"value": 93.6
}
]
},
{
"resolution_limits": [1.70,1.60],
"quality_factors": [
{
"type": "Completeness",
"value": 95.6
}
]
},
{
"resolution_limits": [1.83,1.70],
"quality_factors": [
{
"type": "Completeness",
"value": 97.8
}
]
},
{
"resolution_limits": [2.02,1.83],
"quality_factors": [
{
"type": "Completeness",
"value": 98.0
}
]
},
{
"resolution_limits": [2.31,2.02],
"quality_factors": [
{
"type": "Completeness",
"value": 96.7
}
]
},
{
"resolution_limits": [2.91,2.31],
"quality_factors": [
{
"type": "Completeness",
"value": 95.2
}
]
},
{
"resolution_limits": [20.0,2.91],
"quality_factors": [
{
"type": "Completeness",
"value": 64.3
}
]
}
]
}