Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93d6e7d95a69a0f4eb21ed9725a3ac78",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 63.634,
"b": 63.634,
"c": 113.405,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97920,0.97892],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.351,1.70],
"number_observations_unique": 26440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 13539,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 13337,
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 12957,
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 12639,
"number_observations_unique": 1762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 12313,
"number_observations_unique": 1716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 12026,
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 11475,
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 11280,
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 10527,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 10248,
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 9843,
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 9277,
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 8709,
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 8150,
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 7534,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 6766,
"number_observations_unique": 969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 5981,
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 5080,
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 3925,
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [28.351,7.600],
"number_observations": 2046,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}