Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "975cc4a4cdc266dc4b879782ba006e1d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.296,
"b": 158.458,
"c": 181.959,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.4450],
"number_observations_unique": 112697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.450],
"number_observations_unique": 5556,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.069
},
{
"type": "R(meas)",
"value": 1.170
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 5564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.950
},
{
"type": "R(meas)",
"value": 1.041
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 5571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(meas)",
"value": 0.888
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 5577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 5594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [2.760,2.700],
"number_observations_unique": 5566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.609
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [2.830,2.760],
"number_observations_unique": 5562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.517
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.900,2.830],
"number_observations_unique": 5586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations_unique": 5609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [3.090,2.990],
"number_observations_unique": 5592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.200,3.090],
"number_observations_unique": 5605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.320,3.200],
"number_observations_unique": 5608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.480,3.320],
"number_observations_unique": 5613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.660,3.480],
"number_observations_unique": 5659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.890,3.660],
"number_observations_unique": 5642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.190,3.890],
"number_observations_unique": 5650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.610,4.190],
"number_observations_unique": 5675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.280,4.610],
"number_observations_unique": 5722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.650,5.280],
"number_observations_unique": 5752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,6.650],
"number_observations_unique": 5994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}