Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9912f0e7ad8bd7b0ef1d7201cb592db9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 97.422,
"b": 112.058,
"c": 91.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.710,1.750],
"number_observations": 264390,
"number_observations_unique": 48515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.450
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.750],
"number_observations_unique": 6339,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.204
},
{
"type": "R(meas)",
"value": 1.397
},
{
"type": "I/SigI",
"value": 0.970
},
{
"type": "Completeness",
"value": 78.200
},
{
"type": "Redundancy",
"value": 3.677
},
{
"type": "CC(1/2)",
"value": 0.396
}
]
},
{
"resolution_limits": [1.980,1.860],
"number_observations_unique": 7359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.980
},
{
"type": "I/SigI",
"value": 1.890
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.909
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [2.140,1.980],
"number_observations_unique": 7077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.562
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 3.830
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.984
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.350,2.140],
"number_observations_unique": 6525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.766
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.620,2.350],
"number_observations_unique": 5942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 8.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.092
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.030,2.620],
"number_observations_unique": 5255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 13.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.896
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.700,3.030],
"number_observations_unique": 4489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 22.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.801
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.220,3.700],
"number_observations_unique": 3495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 33.440
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.856
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [48.710,5.220],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 34.670
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.551
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}