Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d9762cb1606bacca5cd9002406d474d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 42.709,
"b": 85.420,
"c": 63.537,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.200,1.250],
"number_observations": 403587,
"number_observations_unique": 64492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.250],
"number_observations": 55367,
"number_observations_unique": 8993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.400,1.320],
"number_observations": 55113,
"number_observations_unique": 8787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.490,1.400],
"number_observations": 54384,
"number_observations_unique": 8355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.610,1.490],
"number_observations": 48336,
"number_observations_unique": 7758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.770,1.610],
"number_observations": 47656,
"number_observations_unique": 7220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.980,1.770],
"number_observations": 39577,
"number_observations_unique": 6500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.280,1.980],
"number_observations": 37006,
"number_observations_unique": 5799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.800,2.280],
"number_observations": 29192,
"number_observations_unique": 4936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.950,2.800],
"number_observations": 23798,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [38.200,3.950],
"number_observations": 13158,
"number_observations_unique": 2254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}