Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2443058186247591ab5bdfee7ea025f8",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 109.947,
"b": 109.947,
"c": 228.554,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97984],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.620,2.600],
"number_observations": 569763,
"number_observations_unique": 44010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.600],
"number_observations": 56961,
"number_observations_unique": 4536,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.146
},
{
"type": "R(meas)",
"value": 4.327
},
{
"type": "R(pim)",
"value": 1.219
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.351
}
]
},
{
"resolution_limits": [39.620,9.730],
"number_observations": 10661,
"number_observations_unique": 974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}