Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "144efcfd42c679711f372f4d515479e4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 47.939,
"b": 70.244,
"c": 122.170,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.940],
"number_observations_unique": 13357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.940],
"number_observations_unique": 194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 25.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 41.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 49.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 61.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 70.600
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 76.600
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.240,2.180],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 79.900
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.300,2.240],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.370,2.300],
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.530,2.440],
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.630,2.530],
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.750,2.630],
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.900,2.750],
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.080,2.900],
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.320,3.080],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.650,3.320],
"number_observations_unique": 806,
"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": 13.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.180,3.650],
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.260,4.180],
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [33.23,5.260],
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}