Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "317ef9cc8ad13870f820df1c92b00254",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.945,
"b": 124.900,
"c": 118.953,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.950,1.670],
"number_observations": 498823,
"number_observations_unique": 64560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.670],
"number_observations": 74030,
"number_observations_unique": 9507,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.089
},
{
"type": "R(meas)",
"value": 1.168
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [118.950,5.280],
"number_observations": 16492,
"number_observations_unique": 2250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}