Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9ef7f513590961067330fdab33e183c",
"space_group_name": "P 1",
"unit_cell": {
"a": 37.025,
"b": 43.586,
"c": 52.182,
"alpha": 92.056,
"beta": 103.722,
"gamma": 99.952
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.34,1.637],
"number_observations_unique": 24808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 15.641
},
{
"type": "Completeness",
"value": 64.7
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.9990
}
]
},
"refln_shells": [
{
"resolution_limits": [35.335,5.089],
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.8
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.781,1.637],
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.293
},
{
"type": "R(meas)",
"value": 1.410
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 14.5
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
}
]
}