Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6c1f99d3222ded2b9a6d728353f094a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.88,
"b": 149.90,
"c": 80.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.700],
"number_observations_unique": 35437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 11.440
},
{
"type": "Completeness",
"value": 100.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.700],
"number_observations": 73412,
"number_observations_unique": 9913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 3.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.200,1.900],
"number_observations": 66279,
"number_observations_unique": 8956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.500,2.200],
"number_observations": 38212,
"number_observations_unique": 5200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 11.150
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 34211,
"number_observations_unique": 4690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 15.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 27285,
"number_observations_unique": 3801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 24.990
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 9605,
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.000,5.000],
"number_observations": 6427,
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 29.420
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,7.000],
"number_observations": 2444,
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 31.870
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 1073,
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 32.960
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [50,20.000],
"number_observations": 125,
"number_observations_unique": 29,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 30.360
},
{
"type": "Completeness",
"value": 90.600
}
]
}
]
}