Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbcf2332e132cce35cae71c64414bc2a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.59,
"b": 67.59,
"c": 166.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.900,1.850],
"number_observations": 180912,
"number_observations_unique": 20089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11195,
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.114
},
{
"type": "R(meas)",
"value": 1.181
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [33.900,9.060],
"number_observations": 1546,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}