Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "178475d09fe9c28645d6fd8c38a86c06",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.800,
"b": 27.434,
"c": 56.297,
"alpha": 90.00,
"beta": 99.97,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.470,1.150],
"number_observations": 174074,
"number_observations_unique": 33187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 75.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 142,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 6.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [55.470,6.090],
"number_observations": 1936,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "I/SigI",
"value": 51.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}