Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93dd392d7902a4306f6ecae6b63a44ed",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.63,
"b": 74.27,
"c": 63.49,
"alpha": 90.00,
"beta": 96.45,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.180,1.680],
"number_observations": 131094,
"number_observations_unique": 39348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 9730,
"number_observations_unique": 2928,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.029
},
{
"type": "R(meas)",
"value": 1.230
},
{
"type": "R(pim)",
"value": 0.667
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [24.180,7.510],
"number_observations": 1429,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}