{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d3ef76987df7c78be611c4c3a0f38ce",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 164.053,
"b": 164.053,
"c": 310.383,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.419,4.339],
"number_observations_unique": 28523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
"refln_shells": [
{
"resolution_limits": [4.550,4.400],
"number_observations": 19798,
"number_observations_unique": 2658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.730,4.550],
"number_observations": 22490,
"number_observations_unique": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [4.920,4.730],
"number_observations": 25733,
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [5.140,4.920],
"number_observations": 29178,
"number_observations_unique": 2396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [5.390,5.140],
"number_observations": 30958,
"number_observations_unique": 2290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [5.680,5.390],
"number_observations": 30187,
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [6.020,5.680],
"number_observations": 28947,
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [6.440,6.020],
"number_observations": 27283,
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [6.960,6.440],
"number_observations": 25110,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [7.620,6.960],
"number_observations": 22813,
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [8.520,7.620],
"number_observations": 19694,
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [9.840,8.520],
"number_observations": 15836,
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [12.050,9.840],
"number_observations": 12512,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [17.040,12.050],
"number_observations": 10735,
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [71.419,17.040],
"number_observations": 5870,
"number_observations_unique": 559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.500
}
]
}
]
}
|