Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40619c315a85649cbb10e8f69dbe2127",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 162.985,
"b": 121.343,
"c": 56.239,
"alpha": 90.00,
"beta": 108.15,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.76,2.1],
"number_observations_unique": 60334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.15,2.1],
"number_observations_unique": 4324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [47.76,9.39],
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.7
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
}
]
}