Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7afa2d12745922baf228bab5d0d8d402",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.24,
"b": 127.59,
"c": 155.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.960,2.600],
"number_observations_unique": 26726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.910
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.60],
"number_observations": 10741,
"number_observations_unique": 2777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.86
}
]
},
{
"resolution_limits": [2.80,2.69],
"number_observations": 10756,
"number_observations_unique": 2773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.87
}
]
},
{
"resolution_limits": [2.93,2.80],
"number_observations": 10647,
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 3.82
}
]
},
{
"resolution_limits": [3.08,2.93],
"number_observations": 10686,
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 96.00
},
{
"type": "Redundancy",
"value": 3.83
}
]
},
{
"resolution_limits": [3.27,3.08],
"number_observations": 10426,
"number_observations_unique": 2687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 94.20
},
{
"type": "Redundancy",
"value": 3.86
}
]
},
{
"resolution_limits": [3.52,3.27],
"number_observations": 10338,
"number_observations_unique": 2614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 89.90
},
{
"type": "Redundancy",
"value": 3.93
}
]
},
{
"resolution_limits": [3.88,3.52],
"number_observations": 10179,
"number_observations_unique": 2532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 86.50
},
{
"type": "Redundancy",
"value": 3.98
}
]
},
{
"resolution_limits": [4.43,3.88],
"number_observations": 10078,
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 84.50
},
{
"type": "Redundancy",
"value": 4.07
}
]
},
{
"resolution_limits": [5.56,4.43],
"number_observations": 10294,
"number_observations_unique": 2479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 83.40
},
{
"type": "Redundancy",
"value": 4.07
}
]
},
{
"resolution_limits": [19.96,5.56],
"number_observations": 11084,
"number_observations_unique": 2852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 91.60
},
{
"type": "Redundancy",
"value": 3.83
}
]
}
]
}