Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc7a63e3bec30186f6ab9a7cf4dda200",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.837,
"b": 112.262,
"c": 62.545,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.610,1.400],
"number_observations_unique": 54248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 20044,
"number_observations_unique": 1776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.912
},
{
"type": "R(meas)",
"value": 0.954
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 63.700
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [45.610,7.670],
"number_observations": 5031,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}