Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60818832a80975c1573f45aa568b9899",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.460,
"b": 112.196,
"c": 62.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.410,2.000],
"number_observations_unique": 17341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 201,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.392
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 13.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [34.410,8.950],
"number_observations": 1283,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}