Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7aaf29e8385b2fcd674df4625172e93",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 146.854,
"b": 153.548,
"c": 165.548,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.860,2.710],
"number_observations": 969467,
"number_observations_unique": 101667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
"refln_shells": [
{
"resolution_limits": [2.860,2.710],
"number_observations": 120484,
"number_observations_unique": 14701,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.068
},
{
"type": "R(meas)",
"value": 1.138
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [109.860,8.580],
"number_observations": 37026,
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}