Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13d256c4504629c6b6cb27b046b40ee5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.600,
"b": 101.474,
"c": 102.227,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.35502],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.020,2.120],
"number_observations": 253894,
"number_observations_unique": 39743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.120],
"number_observations": 38622,
"number_observations_unique": 5852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.883
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [72.020,6.690],
"number_observations": 9031,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}