Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "333d132c994ea0df160765f2b76ec0e5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.085,
"b": 78.772,
"c": 54.686,
"alpha": 90.00,
"beta": 104.45,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.000,2.150],
"number_observations": 139223,
"number_observations_unique": 23423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.320,2.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.420,2.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.550,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.710,2.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.910,2.710],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.200,2.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.660,3.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.580,3.660],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [14.000,4.580],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}