{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8f86d66394dca6694a02706e3b7519c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.790,
"b": 135.664,
"c": 56.045,
"alpha": 90.0,
"beta": 90.6,
"gamma": 90.0
},
"wavelengths": [1.52000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.819,1.866],
"number_observations": 196359,
"number_observations_unique": 44203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.870],
"number_observations": 21051,
"number_observations_unique": 5611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.090,1.970],
"number_observations": 28913,
"number_observations_unique": 6127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.240,2.090],
"number_observations": 30577,
"number_observations_unique": 6424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.410,2.240],
"number_observations": 23759,
"number_observations_unique": 5129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.640,2.410],
"number_observations": 26916,
"number_observations_unique": 5516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.960,2.640],
"number_observations": 21035,
"number_observations_unique": 4461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.410,2.960],
"number_observations": 20371,
"number_observations_unique": 4401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.180,3.410],
"number_observations": 10119,
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 69.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [5.910,4.180],
"number_observations": 8915,
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [23.819,5.910],
"number_observations": 4703,
"number_observations_unique": 1384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}
|