Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b25d6e8f91ce5654dd791d9f2f3995b7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.67,
"b": 125.70,
"c": 80.01,
"alpha": 90.00,
"beta": 103.72,
"gamma": 90.00
},
"wavelengths": [0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.135,1.80],
"number_observations_unique": 89110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 21739,
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 60.500
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 27693,
"number_observations_unique": 4965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 46551,
"number_observations_unique": 5468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 77223,
"number_observations_unique": 6153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 87708,
"number_observations_unique": 6311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 84863,
"number_observations_unique": 6075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 82482,
"number_observations_unique": 5905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 78557,
"number_observations_unique": 5612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 76165,
"number_observations_unique": 5435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 72574,
"number_observations_unique": 5169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 69762,
"number_observations_unique": 4969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 65403,
"number_observations_unique": 4652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 61751,
"number_observations_unique": 4385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 57493,
"number_observations_unique": 4075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 53291,
"number_observations_unique": 3781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 47928,
"number_observations_unique": 3415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 27.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 42056,
"number_observations_unique": 2991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 29.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 36148,
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 28.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 27642,
"number_observations_unique": 1977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 27.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [29.135,8.050],
"number_observations": 14860,
"number_observations_unique": 1089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 30.0
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 13.600
}
]
}
]
}