Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d873c0417146b66f701f02d9488c020",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 65.22,
"b": 89.03,
"c": 104.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.613,1.450],
"number_observations_unique": 53798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.14
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.08
}
]
},
{
"resolution_limits": [1.530,1.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 4.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.570,1.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.620,1.570],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 6.530
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.670,1.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.730,1.670],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.800,1.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.870,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 16.880
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.960,1.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 21.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.050,1.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 26.740
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.160,2.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.170
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.290,2.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 38.350
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.450,2.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 42.490
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.650,2.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 45.760
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.900,2.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 53.090
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.240,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 58.980
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.740,3.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 66.470
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [4.590,3.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 70.200
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [6.480,4.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 69.280
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [52.613,6.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 66.580
},
{
"type": "Completeness",
"value": 92.000
}
]
}
]
}