Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ac0c8a9b69eb3384f26657f1c7cce45",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 84.74,
"b": 84.74,
"c": 317.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 22508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 29.091
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 1406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 60.20
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.69,2.59],
"number_observations_unique": 1779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 75.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.82,2.69],
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "Completeness",
"value": 86.70
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [2.96,2.82],
"number_observations_unique": 2341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 12.30
}
]
},
{
"resolution_limits": [3.15,2.96],
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.90
}
]
},
{
"resolution_limits": [3.39,3.15],
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.00
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.80
}
]
},
{
"resolution_limits": [4.27,3.73],
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.60
}
]
},
{
"resolution_limits": [5.38,4.27],
"number_observations_unique": 2501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [50.00,5.38],
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 12.80
}
]
}
]
}