Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "654d48879e18eb7e2f545f979ecd2856",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 86.006,
"b": 59.104,
"c": 135.481,
"alpha": 90.00,
"beta": 91.12,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.50],
"number_observations": 244688,
"number_observations_unique": 47418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.120
},
{
"type": "R(meas)",
"value": 1.243
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 2330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.973
},
{
"type": "R(meas)",
"value": 1.081
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 2342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.830
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 2408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [2.75,2.69],
"number_observations_unique": 2324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [2.82,2.75],
"number_observations_unique": 2354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.89,2.82],
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.96,2.89],
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 2334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 2349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.39,3.26],
"number_observations_unique": 2348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.55,3.39],
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.73,3.55],
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.97,3.73],
"number_observations_unique": 2352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.27,3.97],
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.70,4.27],
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.38,4.70],
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.78,5.38],
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.00,6.78],
"number_observations_unique": 2479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}