Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c886ebb4c159e12a34bfcc42b2ff54b0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 201.54,
"b": 46.78,
"c": 115.86,
"alpha": 90.00,
"beta": 121.66,
"gamma": 90.00
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.049,2.346],
"number_observations_unique": 36005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.346],
"number_observations": 10780,
"number_observations_unique": 2702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.470,2.410],
"number_observations": 10444,
"number_observations_unique": 2635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations": 10189,
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.620,2.540],
"number_observations": 10050,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations": 9868,
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 9583,
"number_observations_unique": 2303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations": 9096,
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.030,2.910],
"number_observations": 8471,
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.160,3.030],
"number_observations": 8104,
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.320,3.160],
"number_observations": 7621,
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.500,3.320],
"number_observations": 7024,
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.710,3.500],
"number_observations": 6640,
"number_observations_unique": 1667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.970,3.710],
"number_observations": 5637,
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 81.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.280,3.970],
"number_observations": 5004,
"number_observations_unique": 1289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 76.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.690,4.280],
"number_observations": 6318,
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [5.250,4.690],
"number_observations": 5641,
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [6.060,5.250],
"number_observations": 5057,
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [7.420,6.060],
"number_observations": 4160,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [10.490,7.420],
"number_observations": 3126,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [39.049,10.490],
"number_observations": 1578,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}