Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4b8afdb5ee55f578365511f95c9cbe4",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 45.012,
"b": 45.012,
"c": 113.439,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.260,1.620],
"number_observations_unique": 15533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.250
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.290
}
]
},
{
"resolution_limits": [1.750,1.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.280
}
]
},
{
"resolution_limits": [1.820,1.750],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.440
}
]
},
{
"resolution_limits": [1.920,1.820],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.490
}
]
},
{
"resolution_limits": [2.040,1.920],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.480
}
]
},
{
"resolution_limits": [2.200,2.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.590
}
]
},
{
"resolution_limits": [2.420,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.530
}
]
},
{
"resolution_limits": [2.770,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 18.0
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.590
}
]
},
{
"resolution_limits": [3.490,2.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.570
}
]
},
{
"resolution_limits": [35.260,3.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 32.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.180
}
]
}
]
}