Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c671557271a759826b171c5baf8e939",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.61,
"b": 58.34,
"c": 123.48,
"alpha": 90.00,
"beta": 95.04,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.500,1.770],
"number_observations": 555264,
"number_observations_unique": 87436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 25246,
"number_observations_unique": 4080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [61.500,9.550],
"number_observations": 4146,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}