Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01b9ca962b63c13b3553203fa47ad846",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 83.579,
"b": 83.579,
"c": 187.494,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.340,3.000],
"number_observations": 312382,
"number_observations_unique": 15835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 48067,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.454
},
{
"type": "R(meas)",
"value": 1.493
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [39.340,9.000],
"number_observations": 12398,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 50.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}