Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3c56dbe74b3bfca1e1c4e3b687f7b86",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 103.309,
"b": 57.996,
"c": 88.331,
"alpha": 90.00,
"beta": 105.15,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 19693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "Completeness",
"value": 91.20
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "Completeness",
"value": 96.00
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations_unique": 1960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations_unique": 1978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations_unique": 1979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations_unique": 1972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations_unique": 2005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [50.00,5.17],
"number_observations_unique": 2060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.40
}
]
}
]
}