Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfb2242a270844a76cfc44c2b314b957",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.12,
"b": 63.43,
"c": 75.35,
"alpha": 78.65,
"beta": 89.55,
"gamma": 90.29
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45,2.300],
"number_observations": 115170,
"number_observations_unique": 33021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 15.350
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.48
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.300],
"number_observations": 12947,
"number_observations_unique": 3895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 4.410
},
{
"type": "Completeness",
"value": 95.700
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 12106,
"number_observations_unique": 3364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [2.700,2.500],
"number_observations": 19067,
"number_observations_unique": 5299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 9.150
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.000,2.700],
"number_observations": 19229,
"number_observations_unique": 5565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 12.270
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [3.620,3.000],
"number_observations": 22834,
"number_observations_unique": 6435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 18.440
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [4.420,3.620],
"number_observations": 13073,
"number_observations_unique": 3802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [6.200,4.420],
"number_observations": 9999,
"number_observations_unique": 2971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 26.870
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [8.000,6.200],
"number_observations": 3243,
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [12.000,8.000],
"number_observations": 1809,
"number_observations_unique": 552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 36.360
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [16.000,12.000],
"number_observations": 497,
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 42.520
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [45.0,16.000],
"number_observations": 366,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 43.040
},
{
"type": "Completeness",
"value": 96.100
}
]
}
]
}