Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df3381591cf0bf88e01a843ae5d10cc9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.427,
"b": 45.935,
"c": 68.050,
"alpha": 90.0,
"beta": 116.3,
"gamma": 90.0
},
"wavelengths": [1.28306],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.666],
"number_observations_unique": 10030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.666],
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "Completeness",
"value": 71.5
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [2.770,2.720],
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [2.820,2.770],
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.880,2.820],
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.940,2.880],
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [3.010,2.940],
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [3.080,3.010],
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [3.170,3.080],
"number_observations_unique": 505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.8
}
]
},
{
"resolution_limits": [3.260,3.170],
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.0
}
]
},
{
"resolution_limits": [3.360,3.260],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [3.480,3.360],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [3.620,3.480],
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [3.790,3.620],
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.0
}
]
},
{
"resolution_limits": [3.990,3.790],
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [4.240,3.990],
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [4.560,4.240],
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [5.020,4.560],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.8
}
]
},
{
"resolution_limits": [5.750,5.020],
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.8
}
]
},
{
"resolution_limits": [7.240,5.750],
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [50.000,7.240],
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.5
}
]
}
]
}