Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da22bf4db2ae9d8d3ec68bfa290cc48c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.086,
"b": 75.372,
"c": 104.560,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.09],
"number_observations_unique": 29108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.09],
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "Completeness",
"value": 62.800
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 67.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 73.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 1553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 1586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [50.000,5.700],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}