Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20fe625614e785308ec05052d3c97320",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 122.838,
"b": 122.838,
"c": 354.255,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.664,3.150],
"number_observations_unique": 27660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.32,3.15],
"number_observations": 16753,
"number_observations_unique": 3962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.52,3.32],
"number_observations": 23000,
"number_observations_unique": 3747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [3.77,3.52],
"number_observations": 25964,
"number_observations_unique": 3536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [4.07,3.77],
"number_observations": 24371,
"number_observations_unique": 3334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [4.45,4.07],
"number_observations": 22257,
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [4.98,4.45],
"number_observations": 20124,
"number_observations_unique": 2784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [5.75,4.98],
"number_observations": 17702,
"number_observations_unique": 2477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [7.04,5.75],
"number_observations": 14841,
"number_observations_unique": 2118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [9.96,7.04],
"number_observations": 11145,
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [36.66,9.96],
"number_observations": 4106,
"number_observations_unique": 961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 93.60
},
{
"type": "Redundancy",
"value": 4.30
}
]
}
]
}