Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ac01a7a4371cf23e53d0d1762cc0675",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.441,
"b": 79.673,
"c": 90.056,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.030,1.840],
"number_observations": 211160,
"number_observations_unique": 21168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1754
},
{
"type": "R(meas)",
"value": 0.1861
},
{
"type": "R(pim)",
"value": 0.06135
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 11858,
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.134
},
{
"type": "R(meas)",
"value": 1.197
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [45.030,8.990],
"number_observations": 1913,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}