Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f83d359b8157e2293a8313ae3ac2355a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.750,
"b": 113.012,
"c": 89.044,
"alpha": 90.00,
"beta": 120.84,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.710,1.510],
"number_observations": 1198412,
"number_observations_unique": 177144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.510],
"number_observations": 81267,
"number_observations_unique": 12789,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.262
},
{
"type": "R(meas)",
"value": 1.376
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [81.710,6.750],
"number_observations": 14171,
"number_observations_unique": 2112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}