Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2506731e00fbc6fd158378297e348871",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 53.188,
"b": 61.822,
"c": 69.521,
"alpha": 90.00,
"beta": 93.24,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.291,1.549],
"number_observations_unique": 30132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.129
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.54],
"number_observations": 11867,
"number_observations_unique": 3764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 77.80
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [1.72,1.63],
"number_observations": 13031,
"number_observations_unique": 4055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 89.90
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [1.84,1.72],
"number_observations": 12565,
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [1.99,1.84],
"number_observations": 11669,
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 92.10
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.18,1.99],
"number_observations": 10965,
"number_observations_unique": 3419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 93.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.44,2.18],
"number_observations": 10094,
"number_observations_unique": 3155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.82,2.44],
"number_observations": 11700,
"number_observations_unique": 2819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.45,2.82],
"number_observations": 12452,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [4.88,3.45],
"number_observations": 8711,
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [40.30,4.88],
"number_observations": 4369,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
}
]
}