Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8898b33b3b76f5d612554ff868ae62f",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.435,
"b": 42.435,
"c": 217.138,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.440,2.350],
"number_observations": 223782,
"number_observations_unique": 9088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.350],
"number_observations": 31178,
"number_observations_unique": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 10.704
},
{
"type": "R(pim)",
"value": 2.136
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [42.440,7.430],
"number_observations": 6553,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}