Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61eba7304eeff3ca01698011d2245668",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.112,
"b": 57.122,
"c": 115.112,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.110,1.310],
"number_observations": 488242,
"number_observations_unique": 83204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.310],
"number_observations": 24394,
"number_observations_unique": 5944,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.254
},
{
"type": "R(meas)",
"value": 1.440
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [52.110,5.860],
"number_observations": 6308,
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}