Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3bd2490eb80df0b9930cc1750f3472b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.64,
"b": 52.23,
"c": 101.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.760,1.680],
"number_observations": 197349,
"number_observations_unique": 30863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 14237,
"number_observations_unique": 2231,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.469
},
{
"type": "R(meas)",
"value": 1.600
},
{
"type": "R(pim)",
"value": 0.628
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
},
{
"resolution_limits": [50.760,7.510],
"number_observations": 2361,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}