Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "805b49e5f9e607c00b6fab192ba9d1cc",
"space_group_name": "P 1",
"unit_cell": {
"a": 51.491,
"b": 51.648,
"c": 135.291,
"alpha": 91.83,
"beta": 91.49,
"gamma": 95.78
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.714,2.160],
"number_observations": 159053,
"number_observations_unique": 74284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 1.134
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.160],
"number_observations": 24584,
"number_observations_unique": 21302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 1.720
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 1.154
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [2.450,2.290],
"number_observations": 24430,
"number_observations_unique": 21245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 1.150
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [2.640,2.450],
"number_observations": 22534,
"number_observations_unique": 19697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 1.144
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.890,2.640],
"number_observations": 20929,
"number_observations_unique": 18451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 4.890
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 1.134
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.230,2.890],
"number_observations": 18959,
"number_observations_unique": 16823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 8.880
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 1.127
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.730,3.230],
"number_observations": 16587,
"number_observations_unique": 14786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.840
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.122
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.560,3.730],
"number_observations": 14125,
"number_observations_unique": 12644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 21.540
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 1.117
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.430,4.560],
"number_observations": 10991,
"number_observations_unique": 9913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 22.670
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 1.109
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [19.714,6.430],
"number_observations": 5914,
"number_observations_unique": 5371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 29.380
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 1.101
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}