Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23359c7770f33451a482be81e1d141b3",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 39.401,
"b": 84.602,
"c": 122.533,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.620,1.950],
"number_observations": 380252,
"number_observations_unique": 30463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1842,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.599
},
{
"type": "R(meas)",
"value": 1.744
},
{
"type": "R(pim)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [69.620,8.940],
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 61.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}