Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e82439abe1d72a5c6ffc3217436acbcf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.062,
"b": 65.599,
"c": 57.835,
"alpha": 90.00,
"beta": 94.48,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.100],
"number_observations_unique": 19393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations_unique": 1884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.490,2.360],
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.640,2.490],
"number_observations_unique": 1957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.850,2.640],
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.130,2.850],
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.590,3.130],
"number_observations_unique": 1969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.510,3.590],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20.000,4.510],
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}