Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2123ff4e7be88b641bb0dfc5a4baae7c",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 82.202,
"b": 82.202,
"c": 108.462,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.146,2.085],
"number_observations_unique": 25761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.085],
"number_observations": 9272,
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.200,2.140],
"number_observations": 10043,
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.260,2.200],
"number_observations": 9820,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations": 9362,
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.410,2.330],
"number_observations": 9304,
"number_observations_unique": 1702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.490,2.410],
"number_observations": 9007,
"number_observations_unique": 1643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations": 8580,
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations": 8183,
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations": 7869,
"number_observations_unique": 1450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.950,2.810],
"number_observations": 7735,
"number_observations_unique": 1423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.110,2.950],
"number_observations": 7252,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.300,3.110],
"number_observations": 6836,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.520,3.300],
"number_observations": 6375,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.810,3.520],
"number_observations": 5981,
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [4.170,3.810],
"number_observations": 5394,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [4.660,4.170],
"number_observations": 4873,
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [5.380,4.660],
"number_observations": 4234,
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [6.590,5.380],
"number_observations": 3705,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [9.320,6.590],
"number_observations": 2956,
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [27.146,9.320],
"number_observations": 1501,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.600
}
]
}
]
}