Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76241f50bf1ef0485ae8b45f22af8cc7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.670,
"b": 119.660,
"c": 90.867,
"alpha": 90.0,
"beta": 108.9,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.950],
"number_observations_unique": 86353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 8410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 8408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "Completeness",
"value": 94.10
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations_unique": 8324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 93.80
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations_unique": 8267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 92.60
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 8429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 94.20
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 8676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 8879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 8934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [4.20,3.33],
"number_observations_unique": 8979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [100.00,4.20],
"number_observations_unique": 9047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 7.60
}
]
}
]
}