Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1866ac74686b87ec1a9b2af07b5efefa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.380,
"b": 118.550,
"c": 60.233,
"alpha": 90.00,
"beta": 109.53,
"gamma": 90.00
},
"wavelengths": [1.12000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.740,1.840],
"number_observations": 470741,
"number_observations_unique": 50292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 12644,
"number_observations_unique": 3611,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.496
},
{
"type": "R(meas)",
"value": 1.761
},
{
"type": "R(pim)",
"value": 0.916
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
},
{
"resolution_limits": [41.740,8.230],
"number_observations": 6291,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}