Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd91bf3d5bfc9acf12d63305dc736b0a",
"space_group_name": "P 1",
"unit_cell": {
"a": 51.294,
"b": 51.426,
"c": 89.970,
"alpha": 95.29,
"beta": 100.14,
"gamma": 106.05
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.760,2.800],
"number_observations_unique": 20576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.070
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"number_observations": 6356,
"number_observations_unique": 2053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.08
}
]
},
{
"resolution_limits": [3.02,2.90],
"number_observations": 6329,
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [3.15,3.02],
"number_observations": 6319,
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 3.08
}
]
},
{
"resolution_limits": [3.32,3.15],
"number_observations": 6277,
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.07
}
]
},
{
"resolution_limits": [3.53,3.32],
"number_observations": 6304,
"number_observations_unique": 2043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 3.07
}
]
},
{
"resolution_limits": [3.80,3.53],
"number_observations": 6346,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 3.07
}
]
},
{
"resolution_limits": [4.18,3.80],
"number_observations": 6345,
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 3.05
}
]
},
{
"resolution_limits": [4.78,4.18],
"number_observations": 6519,
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 3.08
}
]
},
{
"resolution_limits": [6.02,4.78],
"number_observations": 6403,
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.07
}
]
},
{
"resolution_limits": [30.76,6.02],
"number_observations": 6404,
"number_observations_unique": 2071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.01
}
]
}
]
}