Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfa6d534c94b7841402c3e61d7d588aa",
"space_group_name": "P 63",
"unit_cell": {
"a": 106.412,
"b": 106.412,
"c": 50.422,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations_unique": 64180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.40],
"number_observations_unique": 3171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.30
}
]
},
{
"resolution_limits": [1.45,1.42],
"number_observations_unique": 3191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [1.48,1.45],
"number_observations_unique": 3201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.20
}
]
},
{
"resolution_limits": [1.51,1.48],
"number_observations_unique": 3192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.54,1.51],
"number_observations_unique": 3193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.58,1.54],
"number_observations_unique": 3190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 3207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.66,1.62],
"number_observations_unique": 3193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.71,1.66],
"number_observations_unique": 3208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.76,1.71],
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 3197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.90,1.83],
"number_observations_unique": 3224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [1.99,1.90],
"number_observations_unique": 3192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [2.09,1.99],
"number_observations_unique": 3215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [2.22,2.09],
"number_observations_unique": 3216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [2.39,2.22],
"number_observations_unique": 3209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.00
}
]
},
{
"resolution_limits": [2.63,2.39],
"number_observations_unique": 3211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.20
}
]
},
{
"resolution_limits": [3.02,2.63],
"number_observations_unique": 3250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.60
}
]
},
{
"resolution_limits": [3.80,3.02],
"number_observations_unique": 3250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [50.00,3.80],
"number_observations_unique": 3285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 10.60
}
]
}
]
}