Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d040713e439354df22158ec4a7a8897",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.93,
"b": 45.54,
"c": 83.72,
"alpha": 90.0,
"beta": 101.9,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.420,1.520],
"number_observations": 243528,
"number_observations_unique": 69208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 15559,
"number_observations_unique": 4693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.670
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [45.420,6.800],
"number_observations": 2940,
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 38.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}