Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f36a8fc967a584b120cd037c44b618a",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 154.16,
"b": 69.88,
"c": 159.05,
"alpha": 90.00,
"beta": 112.63,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.830,2.600],
"number_observations": 291431,
"number_observations_unique": 96267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.600],
"number_observations": 14771,
"number_observations_unique": 4743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [86.830,14.240],
"number_observations": 1823,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}