Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c588bb2f406e810fb61f44d577f57f5",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 102.220,
"b": 102.220,
"c": 68.719,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.521,2.700],
"number_observations_unique": 11663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.700],
"number_observations": 11478,
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations": 10768,
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations": 10281,
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations": 9504,
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations": 8858,
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations": 7981,
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations": 7116,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations": 5940,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations": 4706,
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [19.475,8.540],
"number_observations": 2293,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 44.600
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}