Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45e50250e129778e6c143753cf7aa803",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.110,
"b": 52.202,
"c": 35.101,
"alpha": 90.00,
"beta": 101.29,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.790],
"number_observations": 45734,
"number_observations_unique": 6336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 72.200
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations_unique": 42,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 9.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.850,1.820],
"number_observations_unique": 83,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 18.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.890,1.850],
"number_observations_unique": 89,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 20.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.930,1.890],
"number_observations_unique": 127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 29.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 37.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.020,1.970],
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 45.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 54.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.120,2.070],
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 68.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.340,2.260],
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.540,2.430],
"number_observations_unique": 421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.670,2.540],
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.840,2.670],
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.060,2.840],
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.370,3.060],
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.860,3.370],
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.860,3.860],
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,4.860],
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}