Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d49c2e20deb6374f5178145c506a9cc2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.709,
"b": 69.498,
"c": 57.473,
"alpha": 90.00,
"beta": 92.38,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.780,1.620],
"number_observations": 371496,
"number_observations_unique": 52469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 16658,
"number_observations_unique": 2406,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.526
},
{
"type": "R(meas)",
"value": 2.733
},
{
"type": "R(pim)",
"value": 1.033
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.171
}
]
},
{
"resolution_limits": [34.780,8.890],
"number_observations": 2041,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 57.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}