Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb60272ce7a1bcae013b04073987631b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.827,
"b": 125.134,
"c": 119.083,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.080,1.620],
"number_observations": 503579,
"number_observations_unique": 71526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.620],
"number_observations": 63335,
"number_observations_unique": 10307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.794
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [119.080,5.140],
"number_observations": 17161,
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}