Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5be70382f12ce0cb0a31edbe871e3862",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.54,
"b": 67.42,
"c": 138.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.260,2.160],
"number_observations": 235008,
"number_observations_unique": 35234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.160],
"number_observations": 17794,
"number_observations_unique": 2549,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.216
},
{
"type": "R(meas)",
"value": 3.476
},
{
"type": "R(pim)",
"value": 1.309
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [69.260,9.660],
"number_observations": 2467,
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}