Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "892bffb45832cb29d5854536c52ba02e",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 36.864,
"b": 36.864,
"c": 162.063,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.340,1.800],
"number_observations_unique": 3879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.044
},
{
"type": "R(meas)",
"value": 1.288
},
{
"type": "R(pim)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 60.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
},
{
"resolution_limits": [31.320,7.850],
"number_observations_unique": 64,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.90,1.85],
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.53
}
]
}
]
}