Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0704dd5cae3c1a038cef83dc317c4f26",
"space_group_name": "P 31",
"unit_cell": {
"a": 115.59,
"b": 115.59,
"c": 157.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97901,0.97944],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.0000,1.700],
"number_observations_unique": 259245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 13.330
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 107565,
"number_observations_unique": 19130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 105502,
"number_observations_unique": 18723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 102853,
"number_observations_unique": 18224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 99952,
"number_observations_unique": 17672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 97225,
"number_observations_unique": 17170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 93642,
"number_observations_unique": 16527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 90848,
"number_observations_unique": 16004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 87278,
"number_observations_unique": 15374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 83907,
"number_observations_unique": 14740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 80204,
"number_observations_unique": 14108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 76311,
"number_observations_unique": 13391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 72665,
"number_observations_unique": 12749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 67775,
"number_observations_unique": 11900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 62780,
"number_observations_unique": 11063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 57523,
"number_observations_unique": 10241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.4
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 50656,
"number_observations_unique": 9137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 32.2
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 44470,
"number_observations_unique": 8126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 34.5
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 38201,
"number_observations_unique": 6839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 35.8
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 29919,
"number_observations_unique": 5285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 34.6
},
{
"type": "Completeness",
"value": 99.500
}
]
}
]
}