Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d32fc4086cf39d57b819c81c0c196358",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 103.78,
"b": 126.31,
"c": 162.31,
"alpha": 90.00,
"beta": 102.56,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.140,3.450],
"number_observations": 165678,
"number_observations_unique": 53451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.450],
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [43.140,14.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}