Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb5cdc54d313ccf42cb248dbd0b5a7fe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.919,
"b": 81.840,
"c": 77.761,
"alpha": 90.00,
"beta": 100.62,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.13,3.000],
"number_observations_unique": 10552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.15600
},
{
"type": "I/SigI",
"value": 5.9000
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.05,3.00],
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.44700
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [3.11,3.05],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [3.17,3.11],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 92.1
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [3.23,3.17],
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.30,3.23],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.38,3.30],
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 2.9
}
]
}
]
}