Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "faa62598a6855ee8cb7f03017e1f9eab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.277,
"b": 47.527,
"c": 46.452,
"alpha": 90.0,
"beta": 103.1,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.530,1.430],
"number_observations": 67203,
"number_observations_unique": 20123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.430],
"number_observations": 2622,
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.412
},
{
"type": "R(meas)",
"value": 1.760
},
{
"type": "R(pim)",
"value": 1.028
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
},
{
"resolution_limits": [47.530,7.700],
"number_observations": 464,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}