Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f1a66d6e244724a1f20d5deb5582c54",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.492,
"b": 67.670,
"c": 87.771,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.600],
"number_observations_unique": 52662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 4.13
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 2636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 2647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 2657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 2664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 2657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 2672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 2646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [100.000,4.340],
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}