Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17982319a0e24020ad32e863434253c9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.284,
"b": 72.919,
"c": 52.701,
"alpha": 90.00,
"beta": 109.34,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.515,1.07],
"number_observations": 975575,
"number_observations_unique": 142134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.863
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.07],
"number_observations": 151828,
"number_observations_unique": 23023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 2.42
},
{
"type": "Completeness",
"value": 0.991
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.21,1.13],
"number_observations": 145652,
"number_observations_unique": 21601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 4.07
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.31,1.21],
"number_observations": 137631,
"number_observations_unique": 20080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 5.77
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.43,1.31],
"number_observations": 127968,
"number_observations_unique": 18530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 8.94
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.60,1.43],
"number_observations": 115212,
"number_observations_unique": 16760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 14.35
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.85,1.60],
"number_observations": 102348,
"number_observations_unique": 14806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 22.19
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.27,1.85],
"number_observations": 89154,
"number_observations_unique": 12572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 33.35
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.20,2.27],
"number_observations": 68051,
"number_observations_unique": 9715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 39.68
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,3.20],
"number_observations": 37731,
"number_observations_unique": 5432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 45.01
},
{
"type": "Completeness",
"value": 0.996
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}