Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12e5c2cab78f19355253ae5d933c97cc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 96.58,
"b": 273.01,
"c": 117.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.950,2.100],
"number_observations": 1194768,
"number_observations_unique": 90634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 83874,
"number_observations_unique": 6591,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.370
},
{
"type": "R(meas)",
"value": 2.469
},
{
"type": "R(pim)",
"value": 0.686
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.550
}
]
},
{
"resolution_limits": [71.950,9.390],
"number_observations": 12945,
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}