Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e7e40050b26bdd06d1e8a23888708dd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.60,
"b": 27.43,
"c": 56.51,
"alpha": 90.00,
"beta": 99.83,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.690,1.130],
"number_observations": 115372,
"number_observations_unique": 40833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 1212,
"number_observations_unique": 867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 38.200
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [40.690,6.190],
"number_observations": 913,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}