Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "905b26eedcec502f4bdd3b93ab6950d0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.416,
"b": 86.848,
"c": 93.666,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.570],
"number_observations": 415894,
"number_observations_unique": 84182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 4176,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.461
},
{
"type": "R(meas)",
"value": 1.642
},
{
"type": "R(pim)",
"value": 0.733
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.255
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 4193,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.188
},
{
"type": "R(meas)",
"value": 1.341
},
{
"type": "R(pim)",
"value": 0.611
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.251
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 4207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "R(meas)",
"value": 1.084
},
{
"type": "R(pim)",
"value": 0.502
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.276
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 4183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(meas)",
"value": 1.025
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.270
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 4184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.878
},
{
"type": "R(pim)",
"value": 0.418
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.271
}
]
},
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.759
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.427
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 4218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.305
}
]
},
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 4072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [1.920,1.860],
"number_observations_unique": 4194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.598
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
},
{
"resolution_limits": [1.980,1.920],
"number_observations_unique": 4201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [2.050,1.980],
"number_observations_unique": 4225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [2.130,2.050],
"number_observations_unique": 4228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [2.230,2.130],
"number_observations_unique": 4202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [2.350,2.230],
"number_observations_unique": 4235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [2.490,2.350],
"number_observations_unique": 4204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [2.680,2.490],
"number_observations_unique": 4104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [2.950,2.680],
"number_observations_unique": 4277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.380,2.950],
"number_observations_unique": 4285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [4.260,3.380],
"number_observations_unique": 4229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [50.000,4.260],
"number_observations_unique": 4374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}