Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f413d7d1e7bfa28f48251963fff9e84",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 73.48,
"b": 73.48,
"c": 99.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.74,1.40],
"number_observations_unique": 54041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 29.6
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.400],
"number_observations": 74800,
"number_observations_unique": 7698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [1.570,1.480],
"number_observations": 70882,
"number_observations_unique": 7361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [1.670,1.570],
"number_observations": 67756,
"number_observations_unique": 6960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [1.810,1.670],
"number_observations": 63486,
"number_observations_unique": 6456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [1.980,1.810],
"number_observations": 57124,
"number_observations_unique": 6001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [2.210,1.980],
"number_observations": 53733,
"number_observations_unique": 5446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [2.560,2.210],
"number_observations": 44894,
"number_observations_unique": 4812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [3.130,2.560],
"number_observations": 39547,
"number_observations_unique": 4119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [4.430,3.130],
"number_observations": 29079,
"number_observations_unique": 3269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [36.739,4.430],
"number_observations": 16444,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.600
}
]
}
]
}