Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3100cb52a1208bbe3a75fcd5c18e94e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.632,
"b": 90.614,
"c": 87.042,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.610,3.380],
"number_observations": 49007,
"number_observations_unique": 10347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [3.570,3.380],
"number_observations": 7137,
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [90.610,10.700],
"number_observations": 1557,
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}