Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5ef4e96fa891e988753734ca71d1659",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.671,
"b": 88.671,
"c": 39.450,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.000],
"number_observations": 1042411,
"number_observations_unique": 162875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.640
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 131231,
"number_observations_unique": 25364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.174
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [1.140,1.060],
"number_observations": 164393,
"number_observations_unique": 24795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.630
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.230,1.140],
"number_observations": 147208,
"number_observations_unique": 23121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.367
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.350,1.230],
"number_observations": 147310,
"number_observations_unique": 21283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 9.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.921
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.500,1.350],
"number_observations": 131404,
"number_observations_unique": 19267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 13.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.820
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.740,1.500],
"number_observations": 108856,
"number_observations_unique": 17031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 20.340
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.392
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.130,1.740],
"number_observations": 99086,
"number_observations_unique": 14451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 29.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.857
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.000,2.130],
"number_observations": 70494,
"number_observations_unique": 11250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 32.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.266
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.340,3.000],
"number_observations": 42429,
"number_observations_unique": 6313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 35.590
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.721
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}