Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97eb833683b2df3747729ceb57ba6cf5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.162,
"b": 84.045,
"c": 81.416,
"alpha": 90.00,
"beta": 98.51,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.020,1.820],
"number_observations": 197944,
"number_observations_unique": 51159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.820],
"number_observations_unique": 6788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "Completeness",
"value": 83.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [10,5.750],
"number_observations_unique": 1609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}