Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b16a8653cd82330a486d047397cb84f1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 103.990,
"b": 99.636,
"c": 125.853,
"alpha": 90.00,
"beta": 90.02,
"gamma": 90.00
},
"wavelengths": [0.91998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,3.6480],
"number_observations_unique": 28909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.710,3.650],
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.780,3.710],
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.850,3.780],
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.930,3.850],
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.020,3.930],
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.110,4.020],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.210,4.110],
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.330,4.210],
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.450,4.330],
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.600,4.450],
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.760,4.600],
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.950,4.760],
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [5.180,4.950],
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [5.450,5.180],
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [5.790,5.450],
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [6.240,5.790],
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [6.860,6.240],
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [7.850,6.860],
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [9.880,7.850],
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [50.000,9.880],
"number_observations_unique": 1480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.800
}
]
}
]
}