Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96ea109072bb2f906d1a1ea795de4dd0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.593,
"b": 109.014,
"c": 168.053,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.780],
"number_observations": 231216,
"number_observations_unique": 34947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.780],
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.680
},
{
"type": "R(pim)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [2.880,2.830],
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "R(pim)",
"value": 0.222
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.930,2.880],
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.990,2.930],
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.060,2.990],
"number_observations_unique": 1723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.130,3.060],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.210,3.130],
"number_observations_unique": 1743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.300,3.210],
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.390,3.300],
"number_observations_unique": 1737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.500,3.390],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.630,3.500],
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.770,3.630],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.940,3.770],
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.150,3.940],
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.410,4.150],
"number_observations_unique": 1747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.750,4.410],
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.230,4.750],
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.990,5.230],
"number_observations_unique": 1765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.540,5.990],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,7.540],
"number_observations_unique": 1917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}