Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2f1d29554e2574d9445eb0f19e4b4ff",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 113.848,
"b": 113.822,
"c": 193.133,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98030],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations_unique": 78152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.05],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [2.21,2.12],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [2.31,2.21],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.43,2.31],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.58,2.43],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.78,2.58],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.06,2.78],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.51,3.06],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [4.42,3.51],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [50.00,4.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 6.10
}
]
}
]
}