Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5db7d2cf74ac88f6c751c5c459177ce4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.642,
"b": 53.207,
"c": 85.982,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.240,1.400],
"number_observations": 267298,
"number_observations_unique": 37333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 12971,
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.940
},
{
"type": "R(meas)",
"value": 1.012
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [45.240,7.670],
"number_observations": 1500,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 55.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}