{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2904f2a539db1742155a5df233374bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.761,
"b": 41.567,
"c": 111.769,
"alpha": 90.00,
"beta": 102.12,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.520],
"number_observations_unique": 21429,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.39
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.520],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.919
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
},
{
"resolution_limits": [2.610,2.560],
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.485
}
]
},
{
"resolution_limits": [2.660,2.610],
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [2.710,2.660],
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [2.770,2.710],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [2.840,2.770],
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [2.910,2.840],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.990,2.910],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.080,2.990],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.170,3.080],
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.290,3.170],
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.420,3.290],
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.580,3.420],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.760,3.580],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.000,3.760],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.310,4.000],
"number_observations_unique": 1085,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.740,4.310],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.430,4.740],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.830,5.430],
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,6.830],
"number_observations_unique": 1161,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}
|