Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89b216c3082b6f775c45cbd25653f52c",
"space_group_name": "H 3",
"unit_cell": {
"a": 132.233,
"b": 132.233,
"c": 71.139,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.649],
"number_observations_unique": 55893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations_unique": 2779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.710,1.680],
"number_observations_unique": 2825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.611
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.740,1.710],
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.780,1.740],
"number_observations_unique": 2773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.820,1.780],
"number_observations_unique": 2817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.860,1.820],
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations_unique": 2781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [2.010,1.960],
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations_unique": 2799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.240,2.150],
"number_observations_unique": 2810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.340,2.240],
"number_observations_unique": 2805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.460,2.340],
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.620,2.460],
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.820,2.620],
"number_observations_unique": 2826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [3.110,2.820],
"number_observations_unique": 2784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [3.550,3.110],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [4.480,3.550],
"number_observations_unique": 2807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [50.000,4.480],
"number_observations_unique": 2796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.8
}
]
}
]
}