Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7bf55e71a070542f82a1862e00d22bf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.145,
"b": 77.640,
"c": 115.183,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.00,1.90],
"number_observations_unique": 50786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 2496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.97,1.93],
"number_observations_unique": 2532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 2535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 2516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.14,2.09],
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.19,2.14],
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.25,2.19],
"number_observations_unique": 2555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 2506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.39,2.32],
"number_observations_unique": 2545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.48,2.39],
"number_observations_unique": 2552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations_unique": 2538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.70,2.58],
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.84,2.70],
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.02,2.84],
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.25,3.02],
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.58,3.25],
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.09,3.58],
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.15,4.09],
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 92.1
},
{
"type": "Redundancy",
"value": 9.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.00,5.15],
"number_observations_unique": 2720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}