Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78508f938fc65837c9b18f86ed57522d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.76,
"b": 57.22,
"c": 115.08,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.220,1.490],
"number_observations": 372842,
"number_observations_unique": 56674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 26112,
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.511
},
{
"type": "R(meas)",
"value": 1.645
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [57.220,6.660],
"number_observations": 4471,
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 43.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}