Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dff44b3ccd884f51dc8541d8e4d5bdbb",
"space_group_name": "P 1",
"unit_cell": {
"a": 92.393,
"b": 92.500,
"c": 96.522,
"alpha": 101.11,
"beta": 101.14,
"gamma": 109.72
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.02,3.40],
"number_observations_unique": 36533,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 53.9
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
"refln_shells": [
{
"resolution_limits": [3.46,3.40],
"number_observations_unique": 1477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 77.3
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.52,3.46],
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 82.4
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.59,3.52],
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "Completeness",
"value": 86.2
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.66,3.59],
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 89.3
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.74,3.66],
"number_observations_unique": 1752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.83,3.74],
"number_observations_unique": 1847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.92,3.83],
"number_observations_unique": 1836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [4.03,3.92],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.14,4.03],
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.28,4.14],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.43,4.28],
"number_observations_unique": 1918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.60,4.43],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.81,4.60],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.06,4.81],
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.37,5.06],
"number_observations_unique": 1907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.78,5.37],
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.34,5.78],
"number_observations_unique": 1887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.22,6.34],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.96,7.22],
"number_observations_unique": 1894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [20.00,8.96],
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}