Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54722b8d46f7849ab2b50789e27b1625",
"space_group_name": "P 61",
"unit_cell": {
"a": 98.59,
"b": 98.59,
"c": 82.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.700],
"number_observations_unique": 46787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 18.440
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.790,1.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [1.840,1.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 4.610
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [1.900,1.840],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 4.570
},
{
"type": "Completeness",
"value": 75.100
}
]
},
{
"resolution_limits": [1.960,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 6.480
},
{
"type": "Completeness",
"value": 73.500
}
]
},
{
"resolution_limits": [2.030,1.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 8.850
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.110,2.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 9.750
},
{
"type": "Completeness",
"value": 80.100
}
]
},
{
"resolution_limits": [2.190,2.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 13.690
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.290,2.190],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 14.020
},
{
"type": "Completeness",
"value": 81.300
}
]
},
{
"resolution_limits": [2.400,2.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 18.850
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.530,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 20.750
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.690,2.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 23.050
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.870,2.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 27.750
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.100,2.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 32.890
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.810
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 41.850
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [4.390,3.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 47.870
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [5.380,4.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 51.620
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.600,5.380],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 50.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20.0,7.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 55.010
},
{
"type": "Completeness",
"value": 94.000
}
]
}
]
}