Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8f9b15f1b5a5c18f946e377873a921d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.639,
"b": 64.249,
"c": 74.516,
"alpha": 90.0,
"beta": 125.9,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.700,1.960],
"number_observations": 134351,
"number_observations_unique": 32419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 8966,
"number_observations_unique": 2201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.764
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [34.700,8.970],
"number_observations": 1266,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 48.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}