Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aac4481af7602f5afa9d8c86efe9499b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.252,
"b": 111.957,
"c": 62.446,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.980,1.750],
"number_observations_unique": 28225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 4623,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.548
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [33.980,9.090],
"number_observations": 1246,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}