Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97c98f44ee213acff00208a5a33b2a20",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.608,
"b": 64.827,
"c": 74.131,
"alpha": 90.00,
"beta": 125.93,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.690,1.890],
"number_observations": 145587,
"number_observations_unique": 35352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 8656,
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.839
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [34.690,9.090],
"number_observations": 1301,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}