Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f5cc47acea697e8712efcd04a33a870",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.486,
"b": 71.486,
"c": 150.646,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,1.520],
"number_observations": 794082,
"number_observations_unique": 61095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.520],
"number_observations": 36594,
"number_observations_unique": 2914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.925
},
{
"type": "R(meas)",
"value": 0.964
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [29.430,8.320],
"number_observations": 5141,
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 81.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}