Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43fb3e5e5a84a96fcb61a4e68084ec5d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 76.448,
"b": 76.448,
"c": 37.763,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.760,1.250],
"number_observations": 821371,
"number_observations_unique": 31598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 40406,
"number_observations_unique": 1546,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.124
},
{
"type": "R(meas)",
"value": 5.223
},
{
"type": "R(pim)",
"value": 1.008
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.100
},
{
"type": "CC(1/2)",
"value": 0.430
}
]
},
{
"resolution_limits": [37.760,6.850],
"number_observations": 4958,
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}