Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fa9312307d52b2172cbaa6803088d9b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.77,
"b": 45.53,
"c": 83.46,
"alpha": 90.00,
"beta": 101.85,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.840,1.890],
"number_observations": 108095,
"number_observations_unique": 33518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 3607,
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 50.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [40.840,8.450],
"number_observations": 1549,
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}