Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "224ce88712d3d4be111bddc8aa5d447c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.785,
"b": 86.041,
"c": 127.473,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.290,1.700],
"number_observations": 367511,
"number_observations_unique": 55358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 26140,
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [29.290,7.600],
"number_observations": 4527,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}