Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af941cb63e813a1f354345f895d79c0c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.318,
"b": 74.598,
"c": 150.569,
"alpha": 90.00,
"beta": 98.69,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.690,1.830],
"number_observations_unique": 215143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 58027,
"number_observations_unique": 8116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.794
},
{
"type": "R(meas)",
"value": 1.935
},
{
"type": "R(pim)",
"value": 0.717
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [66.690,8.180],
"number_observations": 9157,
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}