Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80de7629081c02491aa1b2f1a951183d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.148,
"b": 66.854,
"c": 39.706,
"alpha": 90.00,
"beta": 105.41,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.850,1.390],
"number_observations": 49603,
"number_observations_unique": 27090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 2098,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [66.850,7.600],
"number_observations": 329,
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}