Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aea80e8ef5cd9509d7f80970baba9e9e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.297,
"b": 95.117,
"c": 127.240,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.120,2.790],
"number_observations": 70273,
"number_observations_unique": 14805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.790],
"number_observations": 10390,
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.598
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [95.120,8.830],
"number_observations": 2082,
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}