Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f86da87fe493a3ecbcabd3c749365c30",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.85,
"b": 109.51,
"c": 150.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,1.670],
"number_observations_unique": 163886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 21.510
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 9.1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.670],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.890,1.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 6.130
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.040,1.890],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 12.110
},
{
"type": "Completeness",
"value": 59.400
}
]
},
{
"resolution_limits": [2.230,2.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 18.110
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.500,2.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 26.320
},
{
"type": "Completeness",
"value": 77.600
}
]
},
{
"resolution_limits": [2.880,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 33.210
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.530,2.880],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 40.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.980,3.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 46.830
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [100,4.980],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 51.220
},
{
"type": "Completeness",
"value": 99.700
}
]
}
]
}