Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f790a0988b2c5c882c1f5bfd1945532c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 56.978,
"b": 91.583,
"c": 76.362,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.790,2.000],
"number_observations": 90856,
"number_observations_unique": 13786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 3366,
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.898
},
{
"type": "R(meas)",
"value": 1.048
},
{
"type": "R(pim)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [45.790,8.940],
"number_observations": 1060,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 75.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}