Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f747956a831c2913fd3f6329063ba844",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.548,
"b": 80.764,
"c": 96.379,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.630],
"number_observations": 454557,
"number_observations_unique": 50011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.942
},
{
"type": "R(meas)",
"value": 1.012
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 2468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.749
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 2487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.538
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 2493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 2463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.990,1.930],
"number_observations_unique": 2479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.050,1.990],
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.130,2.050],
"number_observations_unique": 2490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.210,2.130],
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 2496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.590,2.430],
"number_observations_unique": 2501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.790,2.590],
"number_observations_unique": 2530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.070,2.790],
"number_observations_unique": 2518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.510,3.070],
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.420],
"number_observations_unique": 2736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}