Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acd877825197d2b4b2c8b04f91adbbfb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.673,
"b": 56.130,
"c": 101.416,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.960,1.910],
"number_observations": 158925,
"number_observations_unique": 24820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 10962,
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.029
},
{
"type": "R(meas)",
"value": 1.119
},
{
"type": "R(pim)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [28.960,8.540],
"number_observations": 1980,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 60.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}