Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31a5736659d65a714ff7ffc1e8e5fd8a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.729,
"b": 57.067,
"c": 115.080,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.770,1.700],
"number_observations": 250571,
"number_observations_unique": 38533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 16809,
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [28.770,7.580],
"number_observations": 3109,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 64.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}