Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcb6f748d9b85aab4087bc843849086e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.047,
"b": 57.050,
"c": 115.189,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.040,1.360],
"number_observations": 457939,
"number_observations_unique": 74486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.360],
"number_observations": 27271,
"number_observations_unique": 5456,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.264
},
{
"type": "R(meas)",
"value": 1.416
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.429
}
]
},
{
"resolution_limits": [57.040,6.080],
"number_observations": 5823,
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}