Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2c07b735c1d1cb5b95126d328e7a6bd",
"space_group_name": "P 1",
"unit_cell": {
"a": 61.221,
"b": 62.196,
"c": 118.423,
"alpha": 75.03,
"beta": 81.31,
"gamma": 75.30
},
"wavelengths": [1.00964],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.510,1.800],
"number_observations": 568888,
"number_observations_unique": 145405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 27590,
"number_observations_unique": 7070,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.187
},
{
"type": "R(meas)",
"value": 1.376
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.238
}
]
},
{
"resolution_limits": [50.510,9.860],
"number_observations": 3403,
"number_observations_unique": 901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}