Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f470cdae82c526cc788053e88c9241ad",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.031,
"b": 96.398,
"c": 99.997,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.730,1.700],
"number_observations": 419832,
"number_observations_unique": 65594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.700],
"number_observations": 43382,
"number_observations_unique": 6793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [19.730,6.360],
"number_observations": 8095,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}