Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ebf9d1670892ece5d243631b2e01c78",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 40.887,
"b": 83.601,
"c": 233.830,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.810,1.800],
"number_observations": 249134,
"number_observations_unique": 37771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 15382,
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.081
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [40.810,9.000],
"number_observations": 1696,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}