Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7abaae9cccc1ab62c43ee1429541316f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.24,
"b": 98.96,
"c": 66.56,
"alpha": 90.00,
"beta": 103.25,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.530,1.630],
"number_observations_unique": 85916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 27904,
"number_observations_unique": 4142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [49.480,8.920],
"number_observations": 4052,
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}