Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c2f2ccd816b75909b7e8ff4e946936b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.20,
"b": 111.96,
"c": 62.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.51480],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.6,2.000],
"number_observations_unique": 19540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 20.450
},
{
"type": "Completeness",
"value": 98.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.000],
"number_observations": 10410,
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 8.560
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 8692,
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [2.500,2.200],
"number_observations": 18648,
"number_observations_unique": 4614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.590
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 17047,
"number_observations_unique": 4208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 19.850
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 8775,
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 29.020
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 4963,
"number_observations_unique": 1234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 35.770
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 7155,
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 36.360
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 2379,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 37.950
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [20.00,10.000],
"number_observations": 561,
"number_observations_unique": 161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 43.910
},
{
"type": "Completeness",
"value": 83.900
}
]
}
]
}