Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f67484451452c9bae41ebe7b7b0da96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 31.168,
"b": 34.162,
"c": 95.067,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.000,2.100],
"number_observations_unique": 6278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [2.360,2.310],
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [4.510,3.950],
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [5.670,4.510],
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [23.000,5.670],
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.300
}
]
}
]
}