Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd536e68c6b2c0545df86627a8e49188",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.37,
"b": 56.64,
"c": 128.96,
"alpha": 90.00,
"beta": 93.79,
"gamma": 90.00
},
"wavelengths": [0.97949,1.70000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.34,1.71],
"number_observations_unique": 75905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.71],
"number_observations_unique": 5555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [1.94,1.89],
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.697
},
{
"type": "R(meas)",
"value": 3.990
},
{
"type": "R(pim)",
"value": 1.159
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 55
},
{
"type": "Redundancy",
"value": 11.4
}
]
}
]
}