Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57df6d2dbe77008fa45e4daf4d3a5074",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.554,
"b": 58.334,
"c": 50.333,
"alpha": 90.00,
"beta": 116.38,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,1.390],
"number_observations": 162790,
"number_observations_unique": 48731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 9831,
"number_observations_unique": 3505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.773
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [29.170,6.220],
"number_observations": 2017,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}