Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fb2d7e8c53b742768509411d4c77cae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.906,
"b": 27.464,
"c": 56.444,
"alpha": 90.00,
"beta": 100.25,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.190,1.190],
"number_observations": 171255,
"number_observations_unique": 33165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 611,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 23.200
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [30.190,6.410],
"number_observations": 1591,
"number_observations_unique": 291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}