Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7fbb31bea5adc4cad8ee48bc4babf0b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.10,
"b": 41.57,
"c": 72.13,
"alpha": 90.00,
"beta": 104.13,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.948,1.350],
"number_observations_unique": 48024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 90.2
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 4758,
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 51.5
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [1.420,1.390],
"number_observations": 5734,
"number_observations_unique": 2376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 62.7
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [1.460,1.420],
"number_observations": 7389,
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 80.3
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations": 8873,
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.560,1.510],
"number_observations": 8584,
"number_observations_unique": 3335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.610,1.560],
"number_observations": 8402,
"number_observations_unique": 3261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 8117,
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 7808,
"number_observations_unique": 3046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.820,1.740],
"number_observations": 7500,
"number_observations_unique": 2911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.910,1.820],
"number_observations": 7273,
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.010,1.910],
"number_observations": 6870,
"number_observations_unique": 2666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.130,2.010],
"number_observations": 6573,
"number_observations_unique": 2562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.280,2.130],
"number_observations": 6157,
"number_observations_unique": 2407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.460,2.280],
"number_observations": 5772,
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.700,2.460],
"number_observations": 5281,
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations": 4848,
"number_observations_unique": 1907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations": 4282,
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations": 3568,
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations": 2772,
"number_observations_unique": 1111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [25.367,6.040],
"number_observations": 1400,
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 94.3
},
{
"type": "Redundancy",
"value": 2.3
}
]
}
]
}