Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f48759c926ad5194ee0c27daf57f4c06",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.464,
"b": 101.571,
"c": 144.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.220,1.910],
"number_observations": 302210,
"number_observations_unique": 50634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 11488,
"number_observations_unique": 3277,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.105
},
{
"type": "R(meas)",
"value": 2.471
},
{
"type": "R(pim)",
"value": 1.273
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.306
}
]
},
{
"resolution_limits": [48.220,8.960],
"number_observations": 3096,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}