Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4c8bf36dc89436f7effa2bc586631d8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.51,
"b": 142.92,
"c": 79.27,
"alpha": 90.00,
"beta": 100.51,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.940,2.300],
"number_observations": 194948,
"number_observations_unique": 43237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 19012,
"number_observations_unique": 4260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [77.940,8.910],
"number_observations": 3351,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}