Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1be9d539bf9fc01d3ee237033221a226",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.980,
"b": 95.972,
"c": 50.309,
"alpha": 90.00,
"beta": 103.71,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.420],
"number_observations_unique": 79967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.44,1.42],
"number_observations_unique": 3925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [1.47,1.44],
"number_observations_unique": 3933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.50,1.47],
"number_observations_unique": 3898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 3973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.56,1.53],
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.60,1.56],
"number_observations_unique": 3935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.64,1.60],
"number_observations_unique": 3981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.68,1.64],
"number_observations_unique": 3962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.73,1.68],
"number_observations_unique": 4019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.79,1.73],
"number_observations_unique": 3967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.85,1.79],
"number_observations_unique": 3992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.93,1.85],
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.01,1.93],
"number_observations_unique": 4041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.12,2.01],
"number_observations_unique": 4027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.25,2.12],
"number_observations_unique": 4009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.43,2.25],
"number_observations_unique": 4043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.67,2.43],
"number_observations_unique": 4069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.06,2.67],
"number_observations_unique": 4069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.85,3.06],
"number_observations_unique": 4093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [50.00,3.85],
"number_observations_unique": 4087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 3.60
}
]
}
]
}