Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b778c789411d4ad07246a2188b1bc35",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.36,
"b": 106.59,
"c": 110.84,
"alpha": 90.00,
"beta": 104.27,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.540,1.750],
"number_observations": 1171578,
"number_observations_unique": 160937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 56041,
"number_observations_unique": 7929,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.971
},
{
"type": "R(meas)",
"value": 2.126
},
{
"type": "R(pim)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
},
{
"resolution_limits": [31.540,9.590],
"number_observations": 6361,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
}
]
}