Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df2a279ae2d685cb7e73368cade6bdc4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.095,
"b": 81.781,
"c": 32.193,
"alpha": 90.00,
"beta": 118.38,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.324,1.320],
"number_observations": 108804,
"number_observations_unique": 31804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.325,1.320],
"number_observations": 969,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [28.324,6.107],
"number_observations": 1201,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}