Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8e72fe23b0dd328f8cd02a7be13a0362",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 73.34,
"b": 109.09,
"c": 40.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.7700,1.800],
"number_observations_unique": 31050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 18.690
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 4.950
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.100,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.400,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 13.970
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.800,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 20.290
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.800,2.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 31.610
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.800,3.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 44.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.800,5.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 40.950
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [43.7700,8.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 43.640
},
{
"type": "Completeness",
"value": 94.600
}
]
}
]
}