Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "530a02981831a0dd816a5897ed19d949",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 105.663,
"b": 105.663,
"c": 157.742,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.000,2.350],
"number_observations": 1222832,
"number_observations_unique": 38007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.350],
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.268
},
{
"type": "R(meas)",
"value": 4.401
},
{
"type": "R(pim)",
"value": 1.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.256
}
]
},
{
"resolution_limits": [2.430,2.390],
"number_observations_unique": 1851,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.838
},
{
"type": "R(meas)",
"value": 3.937
},
{
"type": "R(pim)",
"value": 0.869
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.404
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 1847,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.293
},
{
"type": "R(meas)",
"value": 3.363
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.775
},
{
"type": "R(meas)",
"value": 2.826
},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.614
},
{
"type": "R(meas)",
"value": 2.660
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.100
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [2.650,2.590],
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.267
},
{
"type": "R(meas)",
"value": 2.306
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30.300
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [2.710,2.650],
"number_observations_unique": 1868,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.958
},
{
"type": "R(meas)",
"value": 1.986
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.700
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.790,2.710],
"number_observations_unique": 1883,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.576
},
{
"type": "R(meas)",
"value": 1.598
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.800
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations_unique": 1878,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.281
},
{
"type": "R(meas)",
"value": 1.298
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.700
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.053
},
{
"type": "R(meas)",
"value": 1.067
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 36.400
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.070,2.960],
"number_observations_unique": 1884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.834
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.400
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.190,3.070],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.704
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.800
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.330,3.190],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.487
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.510,3.330],
"number_observations_unique": 1888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.730,3.510],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.010,3.730],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.410,4.010],
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.050,4.410],
"number_observations_unique": 1941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.340,5.050],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [23.000,6.340],
"number_observations_unique": 2094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}