Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69a7efcbf23ccb536d229597d032d32c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.656,
"b": 170.295,
"c": 122.002,
"alpha": 90.00,
"beta": 92.04,
"gamma": 90.00
},
"wavelengths": [1.00470],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 99161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 81.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [3.02,2.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "Completeness",
"value": 90.40
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.15,3.02],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.32,3.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.53,3.32],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.80,3.53],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [4.18,3.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [4.79,4.18],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [6.03,4.79],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [50.00,6.03],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.80
}
]
}
]
}