Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b115fd70c3603a83ec55721a9cd4530",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 107.362,
"b": 107.362,
"c": 319.849,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.950,2.090],
"number_observations": 679519,
"number_observations_unique": 111492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.090],
"number_observations": 31733,
"number_observations_unique": 5293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.083
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [47.950,11.430],
"number_observations": 3931,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}