Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d549a14907879266d53406710623c00e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 73.72,
"b": 109.13,
"c": 40.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.8500,1.600],
"number_observations_unique": 43013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 83.500
}
]
},
{
"resolution_limits": [1.900,1.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 9.730
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.200,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 21.020
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.600,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 33.980
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.600,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 50.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.600,3.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 67.570
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.600,5.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 65.180
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [43.8500,8.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 64.990
},
{
"type": "Completeness",
"value": 97.100
}
]
}
]
}