Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45801903cfdd775674caaa00d0fc0263",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 111.044,
"b": 111.044,
"c": 152.124,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.63],
"number_observations_unique": 28673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.650],
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.306
},
{
"type": "R(meas)",
"value": 1.346
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [2.740,2.700],
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.293
},
{
"type": "R(meas)",
"value": 1.329
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.800,2.740],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.202
},
{
"type": "R(meas)",
"value": 1.234
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.998
},
{
"type": "R(meas)",
"value": 1.023
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.920,2.850],
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "R(meas)",
"value": 0.860
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.980,2.920],
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.765
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.060,2.980],
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.683
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.140,3.060],
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.608
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.230,3.140],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.340,3.230],
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.460,3.340],
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.600,3.460],
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.760,3.600],
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.960,3.760],
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.210,3.960],
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.530,4.210],
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.990,4.530],
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.710,4.990],
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.190,5.710],
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,7.190],
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}