Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a14286d8f832bf225b7fed20b16b7df",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 133.452,
"b": 133.452,
"c": 110.283,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.79,3.30],
"number_observations_unique": 15407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.56,3.50],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.448
},
{
"type": "R(meas)",
"value": 1.500
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.8
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [3.63,3.56],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.039
},
{
"type": "R(meas)",
"value": 1.077
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [3.69,3.63],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 0.897
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.1
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [3.77,3.69],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.771
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [3.85,3.77],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "R(meas)",
"value": 0.628
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.94,3.85],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.7
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [4.04,3.94],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.15,4.04],
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [4.27,4.15],
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.41,4.27],
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15.2
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.57,4.41],
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.75,4.57],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.97,4.75],
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.6
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.23,4.97],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.1
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.55,5.23],
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.98,5.55],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [6.58,5.98],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [7.53,6.58],
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.48,7.53],
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,9.48],
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}