Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00878cdcd8def50890f10879af04c314",
"space_group_name": "P 61",
"unit_cell": {
"a": 80.485,
"b": 80.485,
"c": 196.096,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000,0.91162,0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.591,2.15],
"number_observations_unique": 38981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 16463,
"number_observations_unique": 2865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 16019,
"number_observations_unique": 2801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 15656,
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 15318,
"number_observations_unique": 2659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 14802,
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 14337,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 13970,
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 13356,
"number_observations_unique": 2316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 12856,
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 12208,
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 11692,
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 10929,
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 20.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 10366,
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 9652,
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 8865,
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 27.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 8156,
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 31.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 7110,
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 41.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 5996,
"number_observations_unique": 1045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 54.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 4644,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 65.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [29.591,9.620],
"number_observations": 2241,
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 71.8
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
}
]
}