Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b321483b7ba5e6119f7954cb175e23cd",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 116.800,
"b": 116.800,
"c": 111.937,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations": 1314798,
"number_observations_unique": 84879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 15.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 3525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 4208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 4219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 4219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.900
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 4231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 4225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 4231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 4243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.500
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 4244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 4262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 4221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.800
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 4272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 4289,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 4291,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.500
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 4322,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.500
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 4341,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 4398,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 4598,
"quality_factors": [
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 15.500
}
]
}
]
}