{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2793514cab45643b50a9332f1c693c12",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 100.171,
"b": 100.171,
"c": 118.930,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.00],
"number_observations_unique": 12646,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [3.05,3.00],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.706
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [3.11,3.05],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [3.17,3.11],
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.564
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [3.23,3.17],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [3.30,3.23],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [3.38,3.30],
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
},
{
"resolution_limits": [3.46,3.38],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [3.56,3.46],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [3.66,3.56],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.78,3.66],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.91,3.78],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [4.07,3.91],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.26,4.07],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.48,4.26],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.76,4.48],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.13,4.76],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.64,5.13],
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.46,5.64],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [8.13,6.46],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.00,8.13],
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}
|