Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dff1584c760a41a57d199dc2ac2c09fa",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 72.581,
"b": 77.435,
"c": 57.758,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.00,1.45],
"number_observations": 338771,
"number_observations_unique": 56037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.48,1.45],
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.009
},
{
"type": "R(meas)",
"value": 1.104
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "Completeness",
"value": 95.1
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [1.50,1.48],
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 2756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.56,1.53],
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.60,1.56],
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 2793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.390
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.67,1.63],
"number_observations_unique": 2722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.72,1.67],
"number_observations_unique": 2587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 88.6
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.77,1.72],
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.83,1.77],
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.89,1.83],
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.97,1.89],
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.06,1.97],
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.17,2.06],
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.30,2.17],
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.48,2.30],
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 91.2
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.73,2.48],
"number_observations_unique": 2902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.12,2.73],
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.93,3.12],
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.00,3.93],
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}