Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbcbc300eebc99ee03408ebb54808baf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.56,
"b": 79.34,
"c": 89.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.060,1.430],
"number_observations": 545066,
"number_observations_unique": 82346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 41227,
"number_observations_unique": 6007,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.737
},
{
"type": "R(meas)",
"value": 1.878
},
{
"type": "R(pim)",
"value": 0.706
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.478
}
]
},
{
"resolution_limits": [43.060,6.400],
"number_observations": 6791,
"number_observations_unique": 1047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}