Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56aa476d5b4c805b94f5497fdd3e7e5b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.04,
"b": 27.43,
"c": 38.24,
"alpha": 90.00,
"beta": 96.06,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.970,1.390],
"number_observations": 72919,
"number_observations_unique": 22942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 4392,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [29.970,6.220],
"number_observations": 908,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 43.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}