Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74b18bb9d4b39d6d74c8c5b7c5314a6e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 78.356,
"b": 98.377,
"c": 80.338,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations": 538967,
"number_observations_unique": 41189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 2047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 2055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 2067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 2067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 2074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 2085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 2219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}