Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74c3bca291cc99bbd93261f23e214e89",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.108,
"b": 64.565,
"c": 74.280,
"alpha": 90.00,
"beta": 125.93,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.640,2.170],
"number_observations": 95626,
"number_observations_unique": 23400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.170],
"number_observations": 6864,
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "R(meas)",
"value": 0.689
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [34.640,8.960],
"number_observations": 1274,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}