Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22ca7cb43d0b47c2e987469d5f21f27b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.44,
"b": 77.36,
"c": 100.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.360,1.680],
"number_observations": 221139,
"number_observations_unique": 34563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 13703,
"number_observations_unique": 2466,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.579
},
{
"type": "R(meas)",
"value": 1.748
},
{
"type": "R(pim)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.434
}
]
},
{
"resolution_limits": [77.360,7.510],
"number_observations": 2621,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}