Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "406a74371c7ee56ee1b186b87eb68574",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.623,
"b": 105.234,
"c": 172.259,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.7990],
"number_observations_unique": 33971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 1618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 1743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 1751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 1773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [7.590,6.030],
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [50.000,7.590],
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 8.000
}
]
}
]
}