{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66abf5481bb2596404fb090f1d2b7f10",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.22,
"b": 100.14,
"c": 65.34,
"alpha": 90.00,
"beta": 92.33,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.992,2.300],
"number_observations": 107782,
"number_observations_unique": 31956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 12.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.373
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.300],
"number_observations": 12701,
"number_observations_unique": 3784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.357
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 10422,
"number_observations_unique": 3226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.231
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations": 9226,
"number_observations_unique": 2732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 4.530
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.377
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 8261,
"number_observations_unique": 2366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 5.770
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.492
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations": 7099,
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 6.770
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.492
}
]
},
{
"resolution_limits": [3.000,2.800],
"number_observations": 11344,
"number_observations_unique": 3298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.440
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 28329,
"number_observations_unique": 8377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.070
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.382
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 9649,
"number_observations_unique": 2976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 25.950
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.242
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 4643,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 27.180
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.515
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 4699,
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.040
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.272
}
]
},
{
"resolution_limits": [48.992,10.000],
"number_observations": 1409,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.462
}
]
}
]
}
|