Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b0da7a95ccfd3e0f409c1078aa2e976",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.439,
"b": 64.547,
"c": 74.469,
"alpha": 90.00,
"beta": 125.83,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.750,1.970],
"number_observations": 130644,
"number_observations_unique": 31764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 8956,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.689
},
{
"type": "R(meas)",
"value": 0.791
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [34.750,9.030],
"number_observations": 1235,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}