Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "007892f3b5dfe68dfbd948ab02f2cdf7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.307,
"b": 220.560,
"c": 70.825,
"alpha": 90.00,
"beta": 108.55,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,2.150],
"number_observations": 184828,
"number_observations_unique": 64779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.150],
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.734
},
{
"type": "R(pim)",
"value": 0.479
},
{
"type": "Completeness",
"value": 64.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [2.230,2.190],
"number_observations_unique": 2620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "R(pim)",
"value": 0.479
},
{
"type": "Completeness",
"value": 75.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [2.270,2.230],
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [2.320,2.270],
"number_observations_unique": 2981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 3319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.636
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 3383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [2.620,2.550],
"number_observations_unique": 3387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations_unique": 3388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations_unique": 3263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.920,2.810],
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [3.050,2.920],
"number_observations_unique": 3382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.210,3.050],
"number_observations_unique": 3356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.410,3.210],
"number_observations_unique": 3326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.680,3.410],
"number_observations_unique": 3309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.040,3.680],
"number_observations_unique": 3409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.630,4.040],
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.830,4.630],
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [35.000,5.830],
"number_observations_unique": 3475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}