Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7bfc1a1735af83ae680cf857e87fd89c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.243,
"b": 115.220,
"c": 183.266,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.540,1.260],
"number_observations": 1557386,
"number_observations_unique": 241838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.260],
"number_observations": 255970,
"number_observations_unique": 39703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.644
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [97.540,3.790],
"number_observations": 61221,
"number_observations_unique": 9890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}