Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bed3869a6c1a7ed6ca3b5fa3d312350f",
"space_group_name": "P 61",
"unit_cell": {
"a": 97.924,
"b": 97.924,
"c": 81.666,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.990,1.580],
"number_observations": 660584,
"number_observations_unique": 120099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 14.460
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.580],
"number_observations": 81627,
"number_observations_unique": 19141,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.561
},
{
"type": "R(meas)",
"value": 1.781
},
{
"type": "I/SigI",
"value": 0.940
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.265
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [1.790,1.670],
"number_observations": 104084,
"number_observations_unique": 18275,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.065
},
{
"type": "R(meas)",
"value": 1.171
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.695
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [1.930,1.790],
"number_observations": 97832,
"number_observations_unique": 17048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.739
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [2.120,1.930],
"number_observations": 90523,
"number_observations_unique": 15695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 7.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.768
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 81873,
"number_observations_unique": 14138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 13.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.791
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.730,2.370],
"number_observations": 72794,
"number_observations_unique": 12549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 21.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.801
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.340,2.730],
"number_observations": 60461,
"number_observations_unique": 10547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 34.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.733
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.710,3.340],
"number_observations": 46059,
"number_observations_unique": 8193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 50.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.622
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.990,4.710],
"number_observations": 25331,
"number_observations_unique": 4513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 55.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.613
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}