Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "717a18b5bd9cdcd74149250ca3b45fee",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.103,
"b": 59.571,
"c": 62.430,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.30],
"number_observations_unique": 42475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 82.8
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.35,1.32],
"number_observations_unique": 1891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 88.8
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.37,1.35],
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.40,1.37],
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.43,1.40],
"number_observations_unique": 2109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.46,1.43],
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.50,1.46],
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.54,1.50],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.59,1.54],
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.64,1.59],
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.70,1.64],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.84,1.76],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.94,1.84],
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.06,1.94],
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.22,2.06],
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.45,2.22],
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.80,2.45],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.53,2.80],
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,3.53],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}