Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6705cce04fc7481cd0478f165c62697a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 154.778,
"b": 64.402,
"c": 87.884,
"alpha": 90.0,
"beta": 113.8,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.410,2.400],
"number_observations": 192193,
"number_observations_unique": 30850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 17547,
"number_observations_unique": 2829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [80.410,8.970],
"number_observations": 3665,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}