Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c15d5c01deff7eefe8936da9455a65b2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 90.256,
"b": 129.193,
"c": 131.320,
"alpha": 90.00,
"beta": 100.86,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.27,2.45],
"number_observations_unique": 108631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.45],
"number_observations_unique": 5368,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.562
},
{
"type": "R(meas)",
"value": 5.717
},
{
"type": "R(pim)",
"value": 1.315
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.5
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
}
]
}