Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c33f05f80cfb3920fc13f95b7494903a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.325,
"b": 41.347,
"c": 72.403,
"alpha": 90.00,
"beta": 104.57,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.960,1.050],
"number_observations": 349672,
"number_observations_unique": 101502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.445
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.050],
"number_observations": 21219,
"number_observations_unique": 9263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.930
},
{
"type": "Completeness",
"value": 50.600
},
{
"type": "Redundancy",
"value": 2.291
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [1.190,1.110],
"number_observations": 43420,
"number_observations_unique": 14888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 2.916
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.280,1.190],
"number_observations": 58580,
"number_observations_unique": 15908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.682
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.410,1.280],
"number_observations": 53584,
"number_observations_unique": 14629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 8.730
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.663
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.570,1.410],
"number_observations": 47871,
"number_observations_unique": 13200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 13.260
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.627
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.820,1.570],
"number_observations": 44383,
"number_observations_unique": 11697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 20.710
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.794
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.220,1.820],
"number_observations": 36654,
"number_observations_unique": 9884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 29.920
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.708
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.140,2.220],
"number_observations": 27921,
"number_observations_unique": 7693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 35.830
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.629
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.960,3.140],
"number_observations": 16039,
"number_observations_unique": 4339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 41.240
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.696
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}