Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5645cb287bbdb1335f5c2f0a8ff32134",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.640,
"b": 101.426,
"c": 144.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11581],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,1.880],
"number_observations": 339667,
"number_observations_unique": 52775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.880],
"number_observations": 20556,
"number_observations_unique": 3304,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.400
},
{
"type": "R(meas)",
"value": 2.618
},
{
"type": "R(pim)",
"value": 1.033
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.289
}
]
},
{
"resolution_limits": [48.080,9.030],
"number_observations": 3361,
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}