Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30dff06f0fa4b86d6274cbda4756865c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 123.725,
"b": 123.725,
"c": 59.105,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.97,2.600],
"number_observations_unique": 14603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.950,2.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 3.180
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.180,2.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 5.470
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.490,3.180],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 7.580
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.890,3.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 11.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.490,3.890],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.490,4.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 17.970
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.720,5.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 15.770
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [48.97,7.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 25.580
},
{
"type": "Completeness",
"value": 98.800
}
]
}
]
}