Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9129840dbcbf4faf0960a07b0ffc3f95",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 60.104,
"b": 60.104,
"c": 109.812,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.800,1.810],
"number_observations": 240533,
"number_observations_unique": 19111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 16878,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.604
},
{
"type": "R(meas)",
"value": 8.977
},
{
"type": "R(pim)",
"value": 2.539
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [109.800,8.090],
"number_observations": 2915,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}