Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26c05f815d6d34f730654d775306b044",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.387,
"b": 45.440,
"c": 83.453,
"alpha": 90.00,
"beta": 101.65,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.550,1.740],
"number_observations": 162827,
"number_observations_unique": 47038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.740],
"number_observations": 11508,
"number_observations_unique": 3315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [28.550,7.760],
"number_observations": 1932,
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}