Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d919c7e4679d72714688594fee453903",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 56.330,
"b": 56.330,
"c": 182.493,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.1,1.920],
"number_observations_unique": 26657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.920],
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "I/SigI",
"value": 2.09
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 1280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.030,1.990],
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.160,2.110],
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations_unique": 1282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.280,2.220],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.340,2.280],
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.420,2.340],
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.610,2.510],
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.720,2.610],
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.870,2.720],
"number_observations_unique": 1325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [3.050,2.870],
"number_observations_unique": 1344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [3.280,3.050],
"number_observations_unique": 1344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [3.610,3.280],
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [4.140,3.610],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [5.210,4.140],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [50.000,5.210],
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.500
}
]
}
]
}