Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c0c5c9f42b88ef2ddaffc95aff0e6cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.72,
"b": 81.68,
"c": 112.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,1.800],
"number_observations_unique": 43886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 16.460
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 52946,
"number_observations_unique": 6457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 4.850
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.000,1.900],
"number_observations": 43189,
"number_observations_unique": 5260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 7.380
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.100,2.000],
"number_observations": 35457,
"number_observations_unique": 4320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 9.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 29356,
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 11.570
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.300,2.200],
"number_observations": 24262,
"number_observations_unique": 2965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 13.640
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations": 20486,
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 15.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 17329,
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 16.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 55954,
"number_observations_unique": 6926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 20.580
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 27903,
"number_observations_unique": 3533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 15634,
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 32.970
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 15349,
"number_observations_unique": 2021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.680
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 6979,
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 34.320
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 7544,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [100,10.000],
"number_observations": 1748,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 84.700
}
]
}
]
}