Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a029d027d390a11178c4fd816d7dbf6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.61,
"b": 79.47,
"c": 89.48,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.610,1.430],
"number_observations": 547042,
"number_observations_unique": 83064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 41238,
"number_observations_unique": 6076,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.980
},
{
"type": "R(meas)",
"value": 2.142
},
{
"type": "R(pim)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.430
}
]
},
{
"resolution_limits": [62.610,6.400],
"number_observations": 6654,
"number_observations_unique": 1062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}