Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ead74204aab5dc4cd6e81c06d1343f5e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 71.798,
"b": 91.779,
"c": 44.855,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.300,1.847],
"number_observations": 156974,
"number_observations_unique": 24982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.879,1.847],
"number_observations": 8668,
"number_observations_unique": 1302,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.032
},
{
"type": "R(meas)",
"value": 1.120
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [40.300,5.012],
"number_observations": 8662,
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}