Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4c6995526fb3b6e27985be6ccb09b126",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.814,
"b": 167.024,
"c": 137.127,
"alpha": 90.00,
"beta": 92.49,
"gamma": 90.00
},
"wavelengths": [0.97240],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.290,2.650],
"number_observations": 304573,
"number_observations_unique": 87045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.650],
"number_observations": 14538,
"number_observations_unique": 4444,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.476
},
{
"type": "R(meas)",
"value": 1.774
},
{
"type": "R(pim)",
"value": 0.974
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [49.290,14.270],
"number_observations": 2084,
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}