Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a97446ef2611f37d289f7da41a4028ae",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 108.099,
"b": 108.099,
"c": 80.226,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations": 255923,
"number_observations_unique": 60027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 2901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 0.938
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 2881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.669
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 2914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 2806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 2840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 2820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 2812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 2829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 2769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 2756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}