Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3fa653329ce47a714fe014033dfe262",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 127.371,
"b": 162.637,
"c": 133.421,
"alpha": 90.00,
"beta": 117.95,
"gamma": 90.00
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.300],
"number_observations": 299315,
"number_observations_unique": 70882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.360,3.300],
"number_observations_unique": 3583,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.547
},
{
"type": "R(meas)",
"value": 1.748
},
{
"type": "R(pim)",
"value": 0.797
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [3.420,3.360],
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.265
},
{
"type": "R(meas)",
"value": 1.431
},
{
"type": "R(pim)",
"value": 0.656
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [3.480,3.420],
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.999
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "R(pim)",
"value": 0.525
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [3.550,3.480],
"number_observations_unique": 3535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [3.630,3.550],
"number_observations_unique": 3434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.695
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.720,3.630],
"number_observations_unique": 3457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [3.810,3.720],
"number_observations_unique": 3583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [3.910,3.810],
"number_observations_unique": 3541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [4.030,3.910],
"number_observations_unique": 3570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [4.160,4.030],
"number_observations_unique": 3544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.310,4.160],
"number_observations_unique": 3593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.480,4.310],
"number_observations_unique": 3584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.680,4.480],
"number_observations_unique": 3543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.930,4.680],
"number_observations_unique": 3574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.240,4.930],
"number_observations_unique": 3466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.640,5.240],
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.210,5.640],
"number_observations_unique": 3599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.100,6.210],
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [8.940,7.100],
"number_observations_unique": 3598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,8.940],
"number_observations_unique": 3553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}