{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2c2129bfd77d02e2e54e650c93ea64f",
"space_group_name": "P 1",
"unit_cell": {
"a": 269.417,
"b": 277.201,
"c": 277.444,
"alpha": 103.91,
"beta": 117.39,
"gamma": 106.96
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.267,3.2],
"number_observations_unique": 911374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.635
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [3.440,3.250],
"number_observations": 485994,
"number_observations_unique": 137505,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.509
},
{
"type": "R(meas)",
"value": 2.938
},
{
"type": "I/SigI",
"value": 0.510
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.534
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [3.680,3.440],
"number_observations": 522313,
"number_observations_unique": 141921,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.316
},
{
"type": "R(meas)",
"value": 1.537
},
{
"type": "I/SigI",
"value": 1.020
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.680
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.970,3.680],
"number_observations": 467051,
"number_observations_unique": 130032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.935
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "I/SigI",
"value": 1.520
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.350,3.970],
"number_observations": 426910,
"number_observations_unique": 117992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "I/SigI",
"value": 2.830
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.618
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [4.860,4.350],
"number_observations": 407843,
"number_observations_unique": 110351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 5.070
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.696
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [5.600,4.860],
"number_observations": 340175,
"number_observations_unique": 93694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 5.560
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.631
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [6.830,5.600],
"number_observations": 310680,
"number_observations_unique": 82716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.756
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [9.570,6.830],
"number_observations": 224522,
"number_observations_unique": 61851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 12.210
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.630
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [49.267,9.570],
"number_observations": 127275,
"number_observations_unique": 35312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 22.570
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.604
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}
|