Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d7d21b306fdb908a6458b2d1e23732a",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 58.306,
"b": 58.306,
"c": 230.483,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.310],
"number_observations_unique": 10918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.310],
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.933
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.000
}
]
},
{
"resolution_limits": [2.390,2.350],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [2.440,2.390],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
}
]
},
{
"resolution_limits": [2.600,2.540],
"number_observations_unique": 532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.400
}
]
},
{
"resolution_limits": [2.670,2.600],
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.000
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations_unique": 546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
}
]
},
{
"resolution_limits": [3.010,2.910],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
}
]
},
{
"resolution_limits": [3.130,3.010],
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
}
]
},
{
"resolution_limits": [3.280,3.130],
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.100
}
]
},
{
"resolution_limits": [3.450,3.280],
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 16.500
}
]
},
{
"resolution_limits": [3.670,3.450],
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.200
}
]
},
{
"resolution_limits": [3.950,3.670],
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [4.350,3.950],
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.500
}
]
},
{
"resolution_limits": [4.980,4.350],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
}
]
},
{
"resolution_limits": [6.270,4.980],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
}
]
},
{
"resolution_limits": [50.000,6.270],
"number_observations_unique": 672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 14.500
}
]
}
]
}