Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "fb71be7689e4056766e4feec06afc51f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.463,
"b": 83.524,
"c": 58.826,
"alpha": 90.00,
"beta": 108.34,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.820,1.620],
"number_observations": 387107,
"number_observations_unique": 64337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 8995,
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.515
},
{
"type": "R(meas)",
"value": 1.816
},
{
"type": "R(pim)",
"value": 0.970
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [55.820,8.870],
"number_observations": 2568,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 66.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}