Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21d4af7207b6a8c7f3bafd10eb94b895",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.87,
"b": 84.67,
"c": 114.27,
"alpha": 90.00,
"beta": 98.46,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.3350,1.900],
"number_observations_unique": 52462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.110
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.100,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.200,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 5.060
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.500,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 7.390
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.000,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [6.000,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 29.180
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [10.000,6.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 36.490
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [42.3350,10.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 98.200
}
]
}
]
}