Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e7c68dd6831f5b827ee1e1a28c95d68",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 60.864,
"b": 104.334,
"c": 48.233,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.330,1.845],
"number_observations_unique": 27043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 9226,
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.546
},
{
"type": "R(meas)",
"value": 1.689
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [104.330,9.040],
"number_observations": 1507,
"number_observations_unique": 288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}