Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5da962b1d3f7ac00981e5fd9d32ab17",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.698,
"b": 56.477,
"c": 101.205,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.4770,1.540],
"number_observations": 287038,
"number_observations_unique": 47871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.540],
"number_observations": 37061,
"number_observations_unique": 6286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(meas)",
"value": 0.639
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [21.480,5.110],
"number_observations": 9521,
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}