Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca4834dfe889a0b87af3b79f1912c36c",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.70,
"b": 89.30,
"c": 99.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.830,1.470],
"number_observations": 538406,
"number_observations_unique": 49588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 13726,
"number_observations_unique": 3296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.779
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "R(pim)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [54.830,6.570],
"number_observations": 7152,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 69.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}