Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66880389d43fa38928c0f92e93cdf03f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 103.624,
"b": 35.494,
"c": 70.914,
"alpha": 90.00,
"beta": 95.16,
"gamma": 90.00
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.570,1.800],
"number_observations": 72652,
"number_observations_unique": 23803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4014,
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.041
},
{
"type": "R(meas)",
"value": 1.251
},
{
"type": "R(pim)",
"value": 0.686
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [43.570,9.010],
"number_observations": 549,
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}