Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a876209144f8238ff3d7ffbfe9609a23",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.128,
"b": 71.128,
"c": 196.223,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.150,1.550],
"number_observations": 1888696,
"number_observations_unique": 74016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 74530,
"number_observations_unique": 3722,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.677
},
{
"type": "R(meas)",
"value": 9.931
},
{
"type": "R(pim)",
"value": 2.210
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.351
}
]
},
{
"resolution_limits": [71.150,8.360],
"number_observations": 11909,
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}