Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8fdd33180e830657d0bb80ea1ae7e4c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.29,
"b": 87.36,
"c": 117.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.360,2.700],
"number_observations": 80115,
"number_observations_unique": 19994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 10296,
"number_observations_unique": 2628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [87.360,8.950],
"number_observations": 2578,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}