Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a0ede76f50ec35ebfc8a764c6c2a6a1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.528,
"b": 96.643,
"c": 58.058,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.030,1.830],
"number_observations": 131910,
"number_observations_unique": 20478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 7011,
"number_observations_unique": 1189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.775
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [29.030,8.600],
"number_observations": 1424,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}