Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5c76df03864c0254243f7dfa5975bb0",
"space_group_name": "P 63",
"unit_cell": {
"a": 56.521,
"b": 56.521,
"c": 58.201,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.461,1.300],
"number_observations_unique": 26017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 38.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.300],
"number_observations": 17632,
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 10.490
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.400,1.350],
"number_observations": 15111,
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 14.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.500,1.400],
"number_observations": 23846,
"number_observations_unique": 3875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 18.380
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.660,1.500],
"number_observations": 93871,
"number_observations_unique": 13886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.110
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.240,2.660],
"number_observations": 9256,
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 75.510
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.820,3.240],
"number_observations": 3767,
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 74.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.400,3.820],
"number_observations": 2486,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 83.500
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [14.000,4.400],
"number_observations": 4786,
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 77.440
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations": 46,
"number_observations_unique": 8,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 70.920
},
{
"type": "Completeness",
"value": 88.900
}
]
},
{
"resolution_limits": [37.461,17.000],
"number_observations": 52,
"number_observations_unique": 14,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 55.610
},
{
"type": "Completeness",
"value": 93.300
}
]
}
]
}