Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79dffaed54744946a888be40d22f622c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.65,
"b": 45.55,
"c": 83.61,
"alpha": 90.00,
"beta": 101.83,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.070,1.970],
"number_observations": 105240,
"number_observations_unique": 31533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 7874,
"number_observations_unique": 2375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [39.070,8.810],
"number_observations": 1281,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}