Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b30470b908ccc69b2203ba883d54b82",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 169.078,
"b": 169.078,
"c": 54.772,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.945],
"number_observations_unique": 34295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.95],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.665
},
{
"type": "R(meas)",
"value": 3.755
},
{
"type": "R(pim)",
"value": 0.808
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.6
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [2.02,1.98],
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.223
},
{
"type": "R(meas)",
"value": 3.300
},
{
"type": "R(pim)",
"value": 0.701
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.3
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [2.06,2.02],
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.683
},
{
"type": "R(meas)",
"value": 2.745
},
{
"type": "R(pim)",
"value": 0.574
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.9
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [2.10,2.06],
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.230
},
{
"type": "R(meas)",
"value": 2.281
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 23.4
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [2.15,2.10],
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.872
},
{
"type": "R(meas)",
"value": 1.913
},
{
"type": "R(pim)",
"value": 0.391
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.0
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.20,2.15],
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.534
},
{
"type": "R(meas)",
"value": 1.568
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.1
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.25,2.20],
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.217
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 23.9
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.31,2.25],
"number_observations_unique": 1700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.997
},
{
"type": "R(meas)",
"value": 1.019
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 23.8
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.38,2.31],
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.792
},
{
"type": "R(meas)",
"value": 0.811
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 23.1
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.46,2.38],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.6
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.54,2.46],
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "R(meas)",
"value": 0.580
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.9
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.445
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.77,2.65],
"number_observations_unique": 1709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.91,2.77],
"number_observations_unique": 1712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.10,2.91],
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 27.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.33,3.10],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.67,3.33],
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 25.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.20,3.67],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 30.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.29,4.20],
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.29],
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 28.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}