Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fdc0648b4408094179d457a18bb90aa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.634,
"b": 122.329,
"c": 118.751,
"alpha": 90.00,
"beta": 90.41,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.7500,3.0400],
"number_observations_unique": 19786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.340,3.210],
"number_observations_unique": 1993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.490,3.340],
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.680,3.490],
"number_observations_unique": 1981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.910,3.680],
"number_observations_unique": 1979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.210,3.910],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.630,4.210],
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [5.300,4.630],
"number_observations_unique": 1980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [6.670,5.300],
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [50.000,6.670],
"number_observations_unique": 1980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}