Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7816f98be54cb2e4f1621166de58f791",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 130.241,
"b": 241.392,
"c": 135.109,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,2.600],
"number_observations": 356146,
"number_observations_unique": 64789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.600],
"number_observations": 25827,
"number_observations_unique": 4559,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.746
},
{
"type": "R(meas)",
"value": 1.924
},
{
"type": "R(pim)",
"value": 0.794
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [48.080,11.910],
"number_observations": 3363,
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}