Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3932a24e926c94d0d46ef6eb24e7d8e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.707,
"b": 107.854,
"c": 111.758,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.000],
"number_observations_unique": 76058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "Completeness",
"value": 83.60
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.15,2.07],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "Completeness",
"value": 89.70
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.25,2.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.37,2.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.52,2.37],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.80
}
]
},
{
"resolution_limits": [2.71,2.52],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.00
}
]
},
{
"resolution_limits": [2.99,2.71],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.10
}
]
},
{
"resolution_limits": [3.42,2.99],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.20
}
]
},
{
"resolution_limits": [4.31,3.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 8.00
}
]
},
{
"resolution_limits": [30.00,4.31],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 7.10
}
]
}
]
}