Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a211613d24994eb83040a28feda58fa8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.245,
"b": 78.744,
"c": 75.389,
"alpha": 90.0,
"beta": 94.8,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations": 252929,
"number_observations_unique": 62066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 6149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 6176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 6153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 6226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 6167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 6182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 6238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 6194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 6254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 6327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}