Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "586bf30f67b94095390afa533f5804b9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.188,
"b": 82.704,
"c": 92.988,
"alpha": 90.00,
"beta": 108.04,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.460,1.86],
"number_observations": 367827,
"number_observations_unique": 54020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.793
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.86],
"number_observations": 57935,
"number_observations_unique": 8786,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.863
},
{
"type": "R(meas)",
"value": 3.100
},
{
"type": "I/SigI",
"value": 0.61
},
{
"type": "Completeness",
"value": 0.975
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
},
{
"resolution_limits": [2.10,1.97],
"number_observations": 52863,
"number_observations_unique": 8206,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.171
},
{
"type": "R(meas)",
"value": 1.275
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.44
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [2.27,2.10],
"number_observations": 49372,
"number_observations_unique": 7648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 3.11
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.46
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.49,2.27],
"number_observations": 51427,
"number_observations_unique": 7064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 6.60
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.28
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.78,2.49],
"number_observations": 46075,
"number_observations_unique": 6398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 13.05
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.20
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.21,2.78],
"number_observations": 39296,
"number_observations_unique": 5671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 25.19
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.92,3.21],
"number_observations": 29988,
"number_observations_unique": 4765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 44.11
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.29
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.53,3.92],
"number_observations": 25534,
"number_observations_unique": 3761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 63.36
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.53],
"number_observations": 15337,
"number_observations_unique": 2118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 70.02
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 7.24
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}