Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "837b121812812a73985b8a673ad44818",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 63.285,
"b": 141.700,
"c": 55.517,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.76],
"number_observations": 403142,
"number_observations_unique": 49143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.79,1.76],
"number_observations_unique": 2422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.940
},
{
"type": "R(meas)",
"value": 1.002
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [1.82,1.79],
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [1.86,1.82],
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.719
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.90,1.86],
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.98,1.94],
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.03,1.98],
"number_observations_unique": 2439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.09,2.03],
"number_observations_unique": 2458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.15,2.09],
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.22,2.15],
"number_observations_unique": 2456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.30,2.22],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.39,2.30],
"number_observations_unique": 2477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.50,2.39],
"number_observations_unique": 2480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.63,2.50],
"number_observations_unique": 2469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.79,2.63],
"number_observations_unique": 2486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.01,2.79],
"number_observations_unique": 2450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.31,3.01],
"number_observations_unique": 2516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.79,3.31],
"number_observations_unique": 2515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.78,3.79],
"number_observations_unique": 2546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.78],
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 87.1
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}