Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b71d2d26c246fd99d9d4b62bb539f28",
"space_group_name": "P 65",
"unit_cell": {
"a": 39.24,
"b": 39.24,
"c": 31.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.82656],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,0.850],
"number_observations_unique": 24225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [0.900,0.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.689
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [0.960,0.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.040,0.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.140,1.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 12.080
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.270,1.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 15.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.470,1.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 17.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.800,1.470],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.540
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.540,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 25.350
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [50.0,2.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.040
},
{
"type": "Completeness",
"value": 98.500
}
]
}
]
}