Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acf080d2d31f693d0be623e9e4505daf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 28.490,
"b": 40.532,
"c": 43.613,
"alpha": 90.00,
"beta": 104.66,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.270,1.500],
"number_observations_unique": 25253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 1725,
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [19.270,8.220],
"number_observations": 236,
"number_observations_unique": 79,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}