Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8d184b6660b3037818fdccaa89bb788",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 53.324,
"b": 53.324,
"c": 130.223,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900,1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.549],
"number_observations_unique": 28111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.549],
"number_observations_unique": 2587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.610,1.580],
"number_observations_unique": 2580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 2615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 2585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.710,1.670],
"number_observations_unique": 2594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.750,1.710],
"number_observations_unique": 2582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.790,1.750],
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 2642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.890,1.840],
"number_observations_unique": 2585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.950,1.890],
"number_observations_unique": 2621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations_unique": 2642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations_unique": 2615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.320,2.200],
"number_observations_unique": 2661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations_unique": 2596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.650,2.460],
"number_observations_unique": 2653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.920,2.650],
"number_observations_unique": 2625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.340,2.920],
"number_observations_unique": 2645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.210,3.340],
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [50.000,4.210],
"number_observations_unique": 2516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}