Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef11da906a606b2ea7fffc55f4fcb2ee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.4,
"b": 79.6,
"c": 55.2,
"alpha": 90.0,
"beta": 107.1,
"gamma": 90.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.760,1.700],
"number_observations": 165748,
"number_observations_unique": 85729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.070
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 1.933
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.700],
"number_observations_unique": 24855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 2.280
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 1.937
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [2.200,1.900],
"number_observations_unique": 22296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 7.330
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 1.939
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.500,2.200],
"number_observations_unique": 12774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 13.910
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.943
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations_unique": 11414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 20.650
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 1.934
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations_unique": 8938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 32.010
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 1.938
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations_unique": 4252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 37.150
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 1.877
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.000,6.000],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 36.730
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 1.866
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.000,7.000],
"number_observations_unique": 286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 65.600
},
{
"type": "Redundancy",
"value": 1.783
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations_unique": 169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 36.320
},
{
"type": "Completeness",
"value": 40.100
},
{
"type": "Redundancy",
"value": 1.710
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [12.000,10.000],
"number_observations_unique": 39,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 34.750
},
{
"type": "Completeness",
"value": 20.900
},
{
"type": "Redundancy",
"value": 1.590
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [52.760,12.000],
"number_observations_unique": 62,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.610
},
{
"type": "Completeness",
"value": 24.000
},
{
"type": "Redundancy",
"value": 1.387
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}