Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7eee992e470dd6111b33d168b19890bb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.710,
"b": 64.264,
"c": 74.465,
"alpha": 90.00,
"beta": 125.76,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.750,1.940],
"number_observations": 138193,
"number_observations_unique": 32812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.940],
"number_observations": 8739,
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [34.750,9.090],
"number_observations": 1277,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}