Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02fdf54c2b7a4c1c747ed33b0cc50b53",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 46.985,
"b": 46.985,
"c": 244.250,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97826],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.417,2.500],
"number_observations_unique": 10333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.500],
"number_observations": 13410,
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.800,2.640],
"number_observations": 9449,
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.990,2.800],
"number_observations": 11800,
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [3.230,2.990],
"number_observations": 11294,
"number_observations_unique": 1342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [3.540,3.230],
"number_observations": 8862,
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.950,3.540],
"number_observations": 6110,
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 68.500
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [4.560,3.950],
"number_observations": 8191,
"number_observations_unique": 985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [5.590,4.560],
"number_observations": 7021,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [7.910,5.590],
"number_observations": 5445,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [40.690,7.910],
"number_observations": 2822,
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}