Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edb1320f0b16ea29d5b468f46362976b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.494,
"b": 161.519,
"c": 54.137,
"alpha": 90.00,
"beta": 91.53,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.760,1.610],
"number_observations": 597512,
"number_observations_unique": 94580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.610],
"number_observations": 64788,
"number_observations_unique": 13552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [80.760,5.080],
"number_observations": 21043,
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}