Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78cf871c30d75f08a0dc5d5c8c0c8c18",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.83,
"b": 27.34,
"c": 56.59,
"alpha": 90.00,
"beta": 99.61,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.830,1.230],
"number_observations": 101587,
"number_observations_unique": 34399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.230],
"number_observations": 4802,
"number_observations_unique": 2263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.798
},
{
"type": "R(pim)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
},
{
"resolution_limits": [40.830,5.500],
"number_observations": 1241,
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 67.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}