Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e3fe7bee039f9103687235ee3af3823",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.976,
"b": 157.934,
"c": 182.334,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.170,2.900],
"number_observations": 452530,
"number_observations_unique": 67923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.900],
"number_observations": 30619,
"number_observations_unique": 4490,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.049
},
{
"type": "R(meas)",
"value": 2.219
},
{
"type": "R(pim)",
"value": 0.846
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [91.170,13.600],
"number_observations": 3797,
"number_observations_unique": 760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}